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

Structure

InChI Key OHUMKYGINIODOY-UHFFFAOYSA-N
Smiles CN1CCC(CC1)N2CCNCC2
InChI
InChI=1S/C10H21N3/c1-12-6-2-10(3-7-12)13-8-4-11-5-9-13/h10-11H,2-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21N3
Molecular Weight 183.17
AlogP -0.01
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 18.51
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 23995-88-2
NORMAN SUSDAT