Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID3070090

Structure

InChI Key UCCHHQBTFYDPMX-UHFFFAOYSA-N
Smiles CCCC=NCCCCCCN
InChI
InChI=1S/C10H22N2/c1-2-3-9-12-10-7-5-4-6-8-11/h9H,2-8,10-11H2,1H3/b12-9+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22N2
Molecular Weight 170.18
AlogP 2.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 38.38
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 64381-96-0
NORMAN SUSDAT
PubChem 116610
ChemSpider 101904.0