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

Structure

InChI Key ZRPJBDLMSFSJJW-UHFFFAOYSA-N
Smiles [I-].[I-].CC1CCCC(C(=O)OCC[N+](C)(C)C)[N+]1(C)C
InChI
InChI=1S/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H30N2O2
Molecular Weight 258.23
AlogP 1.25
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 3425-97-6
NORMAN SUSDAT