octylamine
AlkaPlorer ID: AK155168
Synonym: None
IUPAC Name: octan-1-amine
Structure
SMILES: CCCCCCCCN
InChI: InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey: IOQPZZOEVPZRBK-UHFFFAOYSA-N
Reference
PubChem CID: 8143
CAS: 111-86-4
LOTUS: LTS0152353
SuperNatural Ⅲ: SN0151153
COCONUT: CNP0065900
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hippodamia convergens | Hippodamia | Coccinellidae | Coleoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 129.247
TPSA？: 26.02
MolLogP？: 2.3056
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 15.8 | nM | None |
| None | ADMET | Kpot A,B | 1.68 | None | 10.1016/s0960-894x(99)00395-9 |
| None | ADMET | Kpot A,B | 2.01 | None | 10.1016/s0960-894x(99)00395-9 |
| None | ADMET | Kpot A,B | 2.58 | None | 10.1016/s0960-894x(99)00395-9 |
| None | ADMET | Kpot A,B | 3.52 | None | 10.1016/s0960-894x(99)00395-9 |
| None | ADMET | Kpot A,B | 19.0 | None | 10.1016/s0960-894x(99)00395-9 |
| None | No relevant target | LogP | 2.93 | None | 10.1016/s0960-894x(99)00395-9 |