1-Propylamine

AlkaPlorer ID: AK311257

Synonym: Propanamine, 1-Aminopropane, FEMA 4237

IUPAC Name: propylazanium

Structure

SMILES: CCC[NH3+]

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InChI: InChI=1S/C3H9N/c1-2-3-4/h2-4H2,1H3/p+1

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InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-O

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Reference

PubChem CID: 174710139

CAS: 107-10-8

NPASS: NPC13626

Properties Information

Molecule Weight: 60.11999999999999

TPSA: 27.64

MolLogP: -0.3617000000000001

Number of H-Donors: 1

Number of H-Acceptors: 0

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
None No relevant target LogP -1.0 None 10.1021/jm00390a002
None No relevant target LogP -0.59 None 10.1021/jm00390a002
None No relevant target LogP -0.54 None 10.1021/jm00390a002
None No relevant target LogP -0.52 None 10.1021/jm00390a002
None No relevant target LogP 0.26 None 10.1021/jm00390a002
None No relevant target LogP 0.28 None 10.1021/jm00390a002
None No relevant target LogP 0.48 None 10.1021/jm00381a013
None No relevant target Log PNalk -1.0 None 10.1021/jm048980b
None No relevant target pKa 10.7 None 10.1021/jm800219f
None No relevant target pKa nan None 10.1021/jm00075a019

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005116 CC(C)=CCCC(C)CC=O.CCCN>>CCCNCCC(C)CCC=C(C)C retrobiocat_111
AKRT006472 CC(CN)C(=O)O>>CCCN enzymemap_41710
AKRT007343 CCC=O>>CCCN MNXR133603
AKRT007890 CCCCCC(=O)NCCC>>CCCN enzymemap_77246
AKRT008001 CCCCCC=O.CCCN>>CCCCCCNCCC retrobiocat_86
AKRT008063 CCCCCCC=O.CCCN>>CCCCCCCNCCC retrobiocat_91
AKRT008423 CCCCCCCC=O.CCCN>>CCCCCCCCNCCC retrobiocat_96
AKRT008450 CCCCCCCCC=O.CCCN>>CCCCCCCCCNCCC retrobiocat_101
AKRT008515 CCCCCCCCCC=O.CCCN>>CCCCCCCCCCNCCC retrobiocat_106
AKRT009526 CCCN.N=C(N)Nc1ccc(OC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1>>CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 enzymemap_73516
AKRT009527 CCCN.N[C@@H](CCC(=O)O)C(=O)O>>CCCNC(=O)CC[C@H](N)C(=O)O enzymemap_90504
AKRT009528 CCCN.N[C@@H](CCC(=O)O)C(=O)O>>CCCN[C@@H](CCC(=O)O)C(=O)O enzymemap_26328
AKRT009529 CCCN>>CCC=O enzymemap_22267
AKRT009530 CCCNC(=N)N>>CCCN enzymemap_78947
AKRT009532 CCCNC(=O)CC[C@H](N)C(=O)O>>CCCN enzymemap_77780
AKRT009537 CCCNC1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O>>CCCN MNXR133497
AKRT009538 CCCNS(=O)(=O)O>>CCCN enzymemap_58359
AKRT010209 CC[C@H](N)C(=O)O>>CCCN enzymemap_81533
AKRT017884 NCCCC(=O)O>>CCCN enzymemap_82158
AKRT017939 NCCCCCCCCCCCC(=O)O>>CCCN enzymemap_41702
AKRT017940 NCCCCCCCCCCN>>CCCN enzymemap_41701
AKRT017942 NCCCCCCO>>CCCN enzymemap_41706
AKRT023524 O=C1CCCCC1.CCCN>>CCCNC1CCCCC1 retrobiocat_610
AKRT023676 O=CCCc1ccccc1.CCCN>>CCCNCCCc1ccccc1 retrobiocat_121
AKRT023774 O=Cc1ccccc1.CCCN>>CCCNCc1ccccc1 retrobiocat_116