1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium iodide

• ChemBase ID: 193436
• Molecular Formular: C14H28IN
• Molecular Mass: 337.28329
• Monoisotopic Mass: 337.1266479
• SMILES: [N+]1(C(CCC=C(C)C)C)(C)CCCCC1.[I-]
• Canonical SMILES: CC([N+]1(C)CCCCC1)CCC=C(C)C.[I-]
• InChI: InChI=1S/C14H28N.HI/c1-13(2)9-8-10-14(3)15(4)11-6-5-7-12-15;/h9,14H,5-8,10-12H2,1-4H3;1H/q+1;/p-1
• InChIKey: CPXUJGJYCGDKCZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium iodide
• IUPAC Traditional name: 1-methyl-1-(6-methylhept-5-en-2-yl)piperidin-1-ium iodide

Database IDs

• PubChem SID: 164249346
• PubChem CID: 44660074

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.61075
• LogD (pH = 7.4): -0.61075
• Log P: -0.61075
• Molar Refractivity: 80.9367 cm^3
• Polarizability: 27.065458 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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