4-(2-methylbutan-2-yl)cyclohexan-1-amine hydrochloride

• ChemBase ID: 254623
• Molecular Formular: C11H24ClN
• Molecular Mass: 205.76796
• Monoisotopic Mass: 205.15972745
• SMILES: C(C1CCC(N)CC1)(CC)(C)C.Cl
• Canonical SMILES: CCC(C1CCC(CC1)N)(C)C.Cl
• InChI: InChI=1S/C11H23N.ClH/c1-4-11(2,3)9-5-7-10(12)8-6-9;/h9-10H,4-8,12H2,1-3H3;1H
• InChIKey: XTJFNOZGVDZKJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methylbutan-2-yl)cyclohexan-1-amine hydrochloride
• IUPAC Traditional name: 4-(2-methylbutan-2-yl)cyclohexan-1-amine hydrochloride
• Synonyms: 4-(1,1-dimethylpropyl)cyclohexanamine hydrochloride

Database IDs

• MDL Number: MFCD09971351
• PubChem SID: 164310533
• PubChem CID: 45286052

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.09091047
• LogD (pH = 7.4): 0.19414392
• Log P: 2.9370344
• Molar Refractivity: 53.7073 cm^3
• Polarizability: 21.833244 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.742

Product Information

• Purity: 95%