Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50999273

Structure

InChI Key QYNFXDVIHNENBG-UHFFFAOYSA-N
Smiles N(CCCN(C)C)C1CC(NC(C)(C)C1)(C)C
InChI
InChI=1/C14H31N3/c1-13(2)10-12(11-14(3,4)16-13)15-8-7-9-17(5)6/h12,15-16H,7-11H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H31N3
Molecular Weight 241.25
AlogP 1.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 27.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 78014-16-1
NORMAN SUSDAT
PubChem 3018747