Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80220522

Structure

InChI Key FLJPZKPNJVGMHO-UHFFFAOYSA-N
Smiles CCCN(CCC)CCCC#N
InChI
InChI=1S/C10H20N2/c1-3-8-12(9-4-2)10-6-5-7-11/h3-6,8-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2
Molecular Weight 168.16
AlogP 2.41
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 27.03
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 70288-99-2
NORMAN SUSDAT
PubChem 98747
ChemSpider 89187.0