3-(propan-2-yl)cyclohexan-1-amine

• ChemBase ID: 270315
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(CC(N)CCC1)C(C)C
• Canonical SMILES: NC1CCCC(C1)C(C)C
• InChI: InChI=1S/C9H19N/c1-7(2)8-4-3-5-9(10)6-8/h7-9H,3-6,10H2,1-2H3
• InChIKey: LTCDIKCILSGJJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(propan-2-yl)cyclohexan-1-amine
• IUPAC Traditional name: 3-isopropylcyclohexan-1-amine
• Synonyms: 3-(propan-2-yl)cyclohexan-1-amine

Database IDs

• MDL Number: MFCD17480370
• PubChem SID: 164326225
• PubChem CID: 19911751

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8354325
• LogD (pH = 7.4): -0.54663354
• Log P: 2.1924186
• Molar Refractivity: 44.6312 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.814

Product Information

• Purity: 95%