[5-methyl-2-(propan-2-yl)cyclohexyl]methanamine hydrochloride

• ChemBase ID: 263469
• Molecular Formular: C11H24ClN
• Molecular Mass: 205.76796
• Monoisotopic Mass: 205.15972745
• SMILES: C1(C(CC(CC1)C)CN)C(C)C.Cl
• Canonical SMILES: NCC1CC(C)CCC1C(C)C.Cl
• InChI: InChI=1S/C11H23N.ClH/c1-8(2)11-5-4-9(3)6-10(11)7-12;/h8-11H,4-7,12H2,1-3H3;1H
• InChIKey: OFFURSAIFAAYLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-methyl-2-(propan-2-yl)cyclohexyl]methanamine hydrochloride
• IUPAC Traditional name: (2-isopropyl-5-methylcyclohexyl)methanamine hydrochloride
• Synonyms: [5-methyl-2-(propan-2-yl)cyclohexyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD13196089
• PubChem SID: 164319379
• PubChem CID: 45792343

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.22966017
• LogD (pH = 7.4): 0.18653974
• Log P: 2.7944503
• Molar Refractivity: 53.9106 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): 3.952

Product Information

• Purity: 95%