Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:5712 - 1-hexanamine
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
1-hexanamine
ChEBI ID
CHEBI:5712
Definition
A 6-carbon primary aliphatic amine.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C6H15N
Net Charge
0
Average Mass
101.19000
Monoisotopic Mass
101.12045
InChI
InChI=1S/C6H15N/c1-2-3-4-5-6-7/h2-7H2,1H3
InChIKey
BMVXCPBXGZKUPN-UHFFFAOYSA-N
SMILES
CCCCCCN
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted 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
1-hexanamine (
CHEBI:5712
)
has role
metabolite (
CHEBI:25212
)
1-hexanamine (
CHEBI:5712
)
is a
primary aliphatic amine (
CHEBI:17062
)
1-hexanamine (
CHEBI:5712
)
is conjugate base of
hexan-1-aminium (
CHEBI:195452
)
Incoming
hexan-1-aminium (
CHEBI:195452
)
is conjugate acid of
1-hexanamine (
CHEBI:5712
)
IUPAC Name
hexan-1-amine
Synonyms
Sources
1-aminohexane
ChEBI
Hexylamine
KEGG COMPOUND
Mono-n-hexylamine
ChemIDplus
N
-hexylamine
ChEBI
Manual Xrefs
Databases
C00001413
KNApSAcK
C08306
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
111-26-2
CAS Registry Number
ChemIDplus
1731298
Reaxys Registry Number
Reaxys
Last Modified
28 July 2014