Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30885923

Structure

InChI Key HSMAVZYQDXUJLK-UHFFFAOYSA-N
Smiles N#CC(N=NC(C)(C)C)(C)CC(C)C
InChI
InChI=1/C11H21N3/c1-9(2)7-11(6,8-12)14-13-10(3,4)5/h9H,7H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H21N3
Molecular Weight 195.17
AlogP 3.57
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 48.51
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 55912-18-0
NORMAN SUSDAT
PubChem 91931