(4-chloro-4-methylpentyl)dimethylamine hydrochloride

• ChemBase ID: 83530
• Molecular Formular: C8H19Cl2N
• Molecular Mass: 200.14916
• Monoisotopic Mass: 199.08945497
• SMILES: N(CCCC(Cl)(C)C)(C)C.Cl
• Canonical SMILES: CN(CCCC(Cl)(C)C)C.Cl
• InChI: InChI=1S/C8H18ClN.ClH/c1-8(2,9)6-5-7-10(3)4;/h5-7H2,1-4H3;1H
• InChIKey: FBBJJLSKFYIJIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chloro-4-methylpentyl)dimethylamine hydrochloride
• IUPAC Traditional name: (4-chloro-4-methylpentyl)dimethylamine hydrochloride
• Synonyms: N-(4-chloro-4-methylpentyl)-N,N-dimethylamine hydrochloride

Database IDs

• MDL Number: MFCD00662916
• PubChem SID: 162070647
• PubChem CID: 2780459

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.3065
• LogD (pH = 7.4): -0.22819614
• Log P: 2.1291335
• Molar Refractivity: 47.8984 cm^3
• Polarizability: 18.806734 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true