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

Structure

InChI Key UAIYUVZUVMZSCH-UHFFFAOYSA-N
Smiles CC(O)CN(CCN)CCN
InChI
InChI=1S/C7H19N3O/c1-7(11)6-10(4-2-8)5-3-9/h7,11H,2-6,8-9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H19N3O1
Molecular Weight 161.15
AlogP -1.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 75.51
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 68072-34-4
NORMAN SUSDAT