CHEBI:7728 - octan-1-amine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name octan-1-amine
ChEBI ID CHEBI:7728
Definition An 8-carbon primary aliphatic amine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C8H19N
Net Charge 0
Average Mass 129.24320
Monoisotopic Mass 129.15175
InChI InChI=1S/C8H19N/c1-2-3-4-5-6-7-8-9/h2-9H2,1H3
InChIKey IOQPZZOEVPZRBK-UHFFFAOYSA-N
SMILES CCCCCCCCN
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing octan-1-amine (CHEBI:7728) has role metabolite (CHEBI:25212)
octan-1-amine (CHEBI:7728) is a primary aliphatic amine (CHEBI:17062)
octan-1-amine (CHEBI:7728) is conjugate base of octan-1-aminium (CHEBI:195453)
Incoming octan-1-aminium (CHEBI:195453) is conjugate acid of octan-1-amine (CHEBI:7728)
IUPAC Name
octan-1-amine
Synonyms Sources
1-Aminooctane ChemIDplus
1-octanamine ChEBI
Monoctylamine KEGG COMPOUND
N-Octylamine KEGG COMPOUND
Octylamine KEGG COMPOUND
Manual Xref Database
C01740 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
111-86-4 CAS Registry Number KEGG COMPOUND
111-86-4 CAS Registry Number ChemIDplus
1679227 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
29674022 PubMed citation Europe PMC
37438993 PubMed citation Europe PMC
6216130 PubMed citation Europe PMC
Last Modified
26 September 2023