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
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

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