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

Structure

InChI Key MPJZCYUPWINKPK-UHFFFAOYSA-N
Smiles OCC1CN2CCN1CC2
InChI
InChI=1S/C7H14N2O/c10-6-7-5-8-1-3-9(7)4-2-8/h7,10H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H14N2O1
Molecular Weight 142.11
AlogP -1.02
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 26.71
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 76950-43-1
NORMAN SUSDAT
PubChem 11062492
ChemSpider 9237645.0