Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30233844

Structure

InChI Key HTWWMEWXLRWYHS-UHFFFAOYSA-N
Smiles N#CCN1CCCCCCC1
InChI
InChI=1S/C9H16N2/c10-6-9-11-7-4-2-1-3-5-8-11/h1-5,7-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N2
Molecular Weight 152.13
AlogP 1.78
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 27.03
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 84803-55-4
NORMAN SUSDAT
PubChem 11970868
ChemSpider 10144249.0