Tetradecylamine

AlkaPlorer ID: AK069791

Synonym: None

IUPAC Name: tetradecan-1-amine

Structure

SMILES: CCCCCCCCCCCCCCN

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InChI: InChI=1S/C14H31N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-15H2,1H3

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InChIKey: PLZVEHJLHYMBBY-UHFFFAOYSA-N

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Reference

PubChem CID: 16217

CAS: 1838-04-6

NPASS: NPC313882

COCONUT: CNP0079841

Source

Species Genus Family Order Class Phylum Kingdom Domain
Crinum asiaticum Crinum Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 213.409

TPSA: 26.02

MolLogP: 4.646200000000003

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Hepacivirus hominis Hepatitis C virus Activity nan None 10.1016/j.bmcl.2013.12.121
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens BT-474 Activity nan None 10.1021/acs.jmedchem.7b01198
Homo sapiens BT-474 Activity nan None 10.1039/C6MD00328A
Homo sapiens BT-474 CC50 27100.0 nM 10.1016/j.ejmech.2014.03.057
Homo sapiens BT-474 CC50 nan None 10.1021/acs.jmedchem.7b01198
Homo sapiens BT-549 CC50 21700.0 nM 10.1016/j.ejmech.2014.03.057
Homo sapiens BT-549 GI50 100000.0 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DU-145 Activity nan None 10.1039/C6MD00328A
Homo sapiens DU-145 CC50 16500.0 nM 10.1021/acs.jmedchem.7b01198
Homo sapiens DU-145 CC50 16800.0 nM 10.1016/j.ejmech.2014.03.057
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens Dynamin-1 IC50 20250.0 nM 10.1016/j.bmcl.2004.03.096
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens HL-60 GI50 100000.0 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens JIMT-1 CC50 27000.0 nM 10.1021/acs.jmedchem.7b01198
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 CC50 nan None 10.1021/acs.jmedchem.7b01198
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens MIA PaCa-2 CC50 18000.0 nM 10.1021/acs.jmedchem.7b01198
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 CC50 24000.0 nM 10.1021/acs.jmedchem.7b01198
Homo sapiens PC-3 CC50 24600.0 nM 10.1016/j.ejmech.2014.03.057
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens Thyroid hormone receptor beta-1 Potency 31622.8 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Human immunodeficiency virus Human immunodeficiency virus Activity nan None 10.1016/j.bmcl.2013.12.121
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 140000.0 nM 10.1016/j.bmc.2015.12.036
Rattus norvegicus N-acylethanolamine-hydrolyzing acid amidase Inhibition nan % 10.1016/j.bmc.2012.03.065
None NON-PROTEIN TARGET CC50 18200.0 nM 10.1016/j.ejmech.2014.03.057
None NON-PROTEIN TARGET CC50 24800.0 nM 10.1016/j.ejmech.2014.03.057

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004509 CC(=O)[CoA].CCCCCCCCCCCCCCN>>CC(=O)CCCCCCCCCCCCCCN enzymemap_31231
AKRT004510 CC(=O)[CoA].CCCCCCCCCCCCCCN>>CCCCCCCCCCCCCCNC(C)=O enzymemap_31231
AKRT008889 CCCCCCCCCCCCCC=O>>CCCCCCCCCCCCCCN retrobiocat_735