Keyword(s): Human Metabolites
Molecule Category Free-form
UNII GE87M2OA61
EPA CompTox DTXSID30201563

Structure

InChI Key AWAHTDIOUIVENZ-UHFFFAOYSA-N
Smiles CCCC(CCC)(CCC)C#N
InChI
InChI=1S/C11H21N/c1-4-7-11(10-12,8-5-2)9-6-3/h4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N1
Molecular Weight 167.17
AlogP 3.9
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 23.79
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5340-48-7
NORMAN SUSDAT
FDA SRS GE87M2OA61
PubChem 79283
ChemSpider 71607.0