Keyword(s): Human Metabolites
Molecule Category Free-form
UNII S3D72V45EZ
EPA CompTox DTXSID10991490

Structure

InChI Key XAOKKTRGZIWQNP-UHFFFAOYSA-N
Smiles O=C(OCC)N1CCN(CC1)CCC
InChI
InChI=1/C10H20N2O2/c1-3-5-11-6-8-12(9-7-11)10(13)14-4-2/h3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20N2O2
Molecular Weight 200.15
AlogP 1.17
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 32.78
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 71172-70-8
NORMAN SUSDAT
FDA SRS S3D72V45EZ
PubChem 116099