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

Structure

InChI Key YIVCBTFDBCYFIL-UHFFFAOYSA-N
Smiles N(=C(C)CC)C1CCC(C)C(N=C(C)CC)C1
InChI
InChI=1/C15H28N2/c1-6-12(4)16-14-9-8-11(3)15(10-14)17-13(5)7-2/h11,14-15H,6-10H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H28N2
Molecular Weight 236.23
AlogP 4.29
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 24.72
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 93859-10-0
NORMAN SUSDAT
PubChem 3022723