Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90164165

Structure

InChI Key QHUQCCADYQJJGO-UHFFFAOYSA-N
Smiles CC(C)C(=NCCN=C(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C16H32N2/c1-11(2)15(12(3)4)17-9-10-18-16(13(5)6)14(7)8/h11-14H,9-10H2,1-8H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32N2
Molecular Weight 252.26
AlogP 4.49
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 24.72
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 14909-27-4
NORMAN SUSDAT
PubChem 84689
ChemSpider 76399.0