Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60654361

Structure

InChI Key NVPUVLBCRYPSIO-UHFFFAOYSA-N
Smiles CCN(CC)CCCN(C)C
InChI
InChI=1S/C9H22N2/c1-5-11(6-2)9-7-8-10(3)4/h5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H22N2
Molecular Weight 158.18
AlogP 1.28
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 6.48
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 62478-82-4
NORMAN SUSDAT
PubChem 40429057
ChemSpider 21613261.0