(10bR)-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide

• ChemBase ID: 185248
• Molecular Formular: C14H24IN
• Molecular Mass: 333.25153
• Monoisotopic Mass: 333.09534777
• SMILES: [C@@]12([N+](CCC3=C1CCC3)(C)CCCC2)C.[I-]
• Canonical SMILES: C[N+]12CCCC[C@]2(C)C2=C(CC1)CCC2.[I-]
• InChI: InChI=1S/C14H24N.HI/c1-14-9-3-4-10-15(14,2)11-8-12-6-5-7-13(12)14;/h3-11H2,1-2H3;1H/q+1;/p-1/t14-,15?;/m1./s1
• InChIKey: CCFKXVZDDBPVFI-FUISWZMFSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (10bR)-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide
• IUPAC Traditional name: (10bR)-5,10b-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-cyclopenta[a]quinolizin-5-ium iodide

Database IDs

• PubChem SID: 164241158
• PubChem CID: 52993424

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.66954
• LogD (pH = 7.4): -1.66954
• Log P: -1.66954
• Molar Refractivity: 76.8195 cm^3
• Polarizability: 25.582415 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: I-
• Classification: Rare Derivatives of Natural Compounds