Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L02S92E4U2
EPA CompTox DTXSID70203925

Structure

InChI Key FHKWCXVXPHXBAC-UHFFFAOYSA-N
Smiles CCCCCCCCCCNCCCN
InChI
InChI=1S/C13H30N2/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14/h15H,2-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H30N2
Molecular Weight 214.24
AlogP 3.07
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 38.05
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 5538-99-8
NORMAN SUSDAT
FDA SRS L02S92E4U2
PubChem 79671
ChemSpider 71971.0