Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20233590

Structure

InChI Key TXQRHCGEVZOPQC-UHFFFAOYSA-N
Smiles O=C(N(C1CCCCC1)C1CCCCC1)N1CCOCC1
InChI
InChI=1S/C17H30N2O2/c20-17(18-11-13-21-14-12-18)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h15-16H,1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H30N2O2
Molecular Weight 294.23
AlogP 3.41
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 32.78
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 84604-69-3
NORMAN SUSDAT
PubChem 3019993
ChemSpider 2287012.0