Keyword(s): Human Metabolites
Molecule Category Free-form
UNII V9AX471ZUG
EPA CompTox DTXSID00185780

Structure

InChI Key OQPSAQBHEQYYMJ-UHFFFAOYSA-N
Smiles N#CCCCN1CCCCCC1
InChI
InChI=1S/C10H18N2/c11-7-3-6-10-12-8-4-1-2-5-9-12/h1-6,8-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18N2
Molecular Weight 166.15
AlogP 2.17
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 27.03
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 3194-43-2
NORMAN SUSDAT
FDA SRS V9AX471ZUG
PubChem 76663
ChemSpider 69125.0