Keyword(s): Human Metabolites
Molecule Category Free-form
UNII U3M2M6CQR6
EPA CompTox DTXSID9062067

Structure

InChI Key UYMQPNRUQXPLCY-UHFFFAOYSA-N
Smiles C1CCN(CC1)CCN2CCCCC2
InChI
InChI=1S/C12H24N2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24N2
Molecular Weight 196.19
AlogP 1.96
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1932-04-3
NORMAN SUSDAT
FDA SRS U3M2M6CQR6
PubChem 74733
ChemSpider 67305.0