Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80867072

Structure

InChI Key QPTPXMZPICHZRY-UHFFFAOYSA-N
Smiles C=1C=C(C=CC1NC(C)CC)N(C(C)CC)C(C)CC
InChI
InChI=1/C18H32N2/c1-7-14(4)19-17-10-12-18(13-11-17)20(15(5)8-2)16(6)9-3/h10-16,19H,7-9H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32N2
Molecular Weight 276.26
AlogP 5.3
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 15.27
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 64381-97-1
NORMAN SUSDAT
PubChem 116611