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

Structure

InChI Key QMRGNVUDLXOZPG-UHFFFAOYSA-N
Smiles [Cl-].C[N+](C)(C)CCN
InChI
InChI=1S/C5H15N2/c1-7(2,3)5-4-6/h4-6H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H15N2
Molecular Weight 103.12
AlogP -0.35
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 3399-67-5
NORMAN SUSDAT