Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10864413

Structure

InChI Key ZGDGVGVOFIGJIE-UHFFFAOYSA-N
Smiles C=1C=CC(NC(C)CC)=C(C1)NC(C)CC
InChI
InChI=1/C14H24N2/c1-5-11(3)15-13-9-7-8-10-14(13)16-12(4)6-2/h7-12,15-16H,5-6H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24N2
Molecular Weight 220.19
AlogP 4.11
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 24.06
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 13482-10-5
NORMAN SUSDAT
PubChem 114532