(4-chloro-4-methylpentyl)trimethylazanium iodide

• ChemBase ID: 83544
• Molecular Formular: C9H21ClIN
• Molecular Mass: 305.62721
• Monoisotopic Mass: 305.04072536
• SMILES: [N+](CCCC(Cl)(C)C)(C)(C)C.[I-]
• Canonical SMILES: C[N+](CCCC(Cl)(C)C)(C)C.[I-]
• InChI: InChI=1S/C9H21ClN.HI/c1-9(2,10)7-6-8-11(3,4)5;/h6-8H2,1-5H3;1H/q+1;/p-1
• InChIKey: UQFCSWMXYJRHJK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-4-methylpentyl)trimethylazanium iodide
• IUPAC Traditional name: (4-chloro-4-methylpentyl)trimethylazanium iodide
• Synonyms: (4-chloro-4-methylpentyl)(trimethyl)ammonium iodide

Database IDs

• MDL Number: MFCD00102030
• PubChem SID: 162070661
• PubChem CID: 2780482

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.0332031
• LogD (pH = 7.4): -2.0332031
• Log P: -2.0332031
• Molar Refractivity: 63.812 cm^3
• Polarizability: 20.585022 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true