Cas no 29579-66-6 (1,5-Diazacycloheneicosane-6,14-dione,5-(4-aminobutyl)-)

1,5-Diazacycloheneicosane-6,14-dione,5-(4-aminobutyl)- structure
29579-66-6 structure
Product Name:1,5-Diazacycloheneicosane-6,14-dione,5-(4-aminobutyl)-
CAS No:29579-66-6
MF:C23H45N3O2
MW:395.622306585312
CID:265098
PubChem ID:15215099
Update Time:2025-04-19

1,5-Diazacycloheneicosane-6,14-dione,5-(4-aminobutyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,5-Diazacycloheneicosane-6,14-dione,5-(4-aminobutyl)-
    • Inandenin-13-one
    • InandeninB
    • Inandenine B
    • 29579-66-6
    • 5-(4-AMINOBUTYL)-1,5-DIAZACYCLOHENICOSANE-6,14-DIONE
    • Inchi: 1S/C23H45N3O2/c24-17-10-12-20-26-21-13-19-25-18-11-6-2-4-8-15-22(27)14-7-3-1-5-9-16-23(26)28/h25H,1-21,24H2
    • InChI Key: AEAOJRNQWFGMNK-UHFFFAOYSA-N
    • SMILES: O=C1CCCCCCCC(CCCCCCCNCCCN1CCCCN)=O

Computed Properties

  • Exact Mass: 395.35117769g/mol
  • Monoisotopic Mass: 395.35117769g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 401
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.3
  • Topological Polar Surface Area: 75.4?2
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