Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50889165

Structure

InChI Key QKABJOXIAJBLQX-UHFFFAOYSA-N
Smiles CC1C(C)(C)C2CCc3cncnc3C2C1(C)C
InChI
InChI=1S/C16H24N2/c1-10-15(2,3)12-7-6-11-8-17-9-18-14(11)13(12)16(10,4)5/h8-10,12-13H,6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24N2
Molecular Weight 244.19
AlogP 3.82
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 1392325-86-8
NORMAN SUSDAT
PubChem 68162000
ChemSpider 35308429.0