(1R,9aR)-1-cyano-5-methyl-decahydroquinolizin-5-ium iodide

• ChemBase ID: 210238
• Molecular Formular: C11H19IN2
• Molecular Mass: 306.18643
• Monoisotopic Mass: 306.05929662
• SMILES: [N+]12([C@@H]([C@H](C#N)CCC1)CCCC2)C.[I-]
• Canonical SMILES: N#C[C@@H]1CCC[N+]2([C@@H]1CCCC2)C.[I-]
• InChI: InChI=1S/C11H19N2.HI/c1-13-7-3-2-6-11(13)10(9-12)5-4-8-13;/h10-11H,2-8H2,1H3;1H/q+1;/p-1/t10-,11+,13?;/m0./s1
• InChIKey: DZXPHSDBPPAKGY-DGKOSOBHSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,9aR)-1-cyano-5-methyl-decahydroquinolizin-5-ium iodide
• IUPAC Traditional name: (1R,9aR)-1-cyano-5-methyl-octahydro-1H-quinolizin-5-ium iodide

Database IDs

• PubChem SID: 164266148
• PubChem CID: 52994093

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.775067
• LogD (pH = 7.4): -2.775067
• Log P: -2.775067
• Molar Refractivity: 64.9211 cm^3
• Polarizability: 20.838146 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: I-
• Classification: Derivatives & analogs of Natural Compounds