Cas no 29047-52-7 (1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-)

1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)- structure
29047-52-7 structure
Product Name:1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-
CAS No:29047-52-7
MF:C14H21N3O
MW:247.336043119431
CID:239415
PubChem ID:45496285
Update Time:2025-04-19

1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)- Chemical and Physical Properties

Names and Identifiers

    • 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-
    • 12-(3-Aminopropyl)-cytisine
    • 11-(3-aminopropyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
    • 3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]-diazocin-8-one
    • F2113-0635
    • N-(3-aminopropyl)cytisine
    • 1105195-73-0
    • 29047-52-7
    • DTXSID201125697
    • FT-0701387
    • 3-(3-Amino-propyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
    • 3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one
    • 3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]- diazocin-8-one
    • AKOS015956077
    • 3-(3-Aminopropyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
    • DTXSID40670524
    • Inchi： 1S/C14H21N3O/c15-5-2-6-16-8-11-7-12(10-16)13-3-1-4-14(18)17(13)9-11/h1,3-4,11-12H,2,5-10,15H2
    • InChI Key： QKNHBHAWXBIPFZ-UHFFFAOYSA-N
    • SMILES： O=C1C=CC=C2C3CN(CCCN)CC(CN21)C3

Computed Properties

  • Exact Mass: 247.16800
  • Monoisotopic Mass: 247.168
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 402
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 49.6A^2
  • XLogP3: 0.1

Experimental Properties

  • PSA: 51.26000
  • LogP: 1.25440

1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)- Related Literature

29047-52-7 (1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one,3-(3-aminopropyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-) Related Products

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