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

Structure

InChI Key NRUNYHTXLPOHDF-UHFFFAOYSA-N
Smiles C1CNC(C1)CNCC2CC2
InChI
InChI=1S/C9H18N2/c1-2-9(11-5-1)7-10-6-8-3-4-8/h8-11H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18N2
Molecular Weight 154.15
AlogP 0.74
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 24.06
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 71820-57-0
NORMAN SUSDAT