Cas no 172139-30-9 (Tetraponerine 1; 5-Epimer)

Tetraponerine 1; 5-Epimer structure
Tetraponerine 1; 5-Epimer structure
Product Name:Tetraponerine 1; 5-Epimer
CAS No:172139-30-9
MF:C13H24N2
MW:208.343063354492
CID:2734242
PubChem ID:101725138
Update Time:2025-04-21

Tetraponerine 1; 5-Epimer Chemical and Physical Properties

Names and Identifiers

    • 172139-30-9
    • (5S,6aR,10aS)-Decahydro-5-propyldipyrrolo[1,2-a:1a(2),2a(2)-c]pyrimidine
    • (5S,6aR,10aS)-Decahydro-5-propyldipyrrolo(1,2-a:1',2'-c)pyrimidine
    • (5S,6aR,10aS)-Decahydro-5-propyldipyrrolo[1,2-a:1',2'-c]pyrimidine
    • DTXSID301166311
    • Tetraponerine 1; 5-Epimer
    • Inchi: 1S/C13H24N2/c1-2-5-11-10-12-6-3-8-15(12)13-7-4-9-14(11)13/h11-13H,2-10H2,1H3
    • InChI Key: VJJWHOBPDFRQRH-UHFFFAOYSA-N
    • SMILES: CCCC1N2C(CCC2)N2C(CCC2)C1

Computed Properties

  • Exact Mass: 208.193948774Da
  • Monoisotopic Mass: 208.193948774Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 229
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 6.5?2
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