[4-(propan-2-yl)cyclohexyl]methanamine

• ChemBase ID: 240899
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: C1(CCC(CC1)CN)C(C)C
• Canonical SMILES: NCC1CCC(CC1)C(C)C
• InChI: InChI=1S/C10H21N/c1-8(2)10-5-3-9(7-11)4-6-10/h8-10H,3-7,11H2,1-2H3
• InChIKey: MYJPNHCIJWKLPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(propan-2-yl)cyclohexyl]methanamine
• IUPAC Traditional name: (4-isopropylcyclohexyl)methanamine
• Synonyms: [4-(propan-2-yl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD16853282
• PubChem SID: 164296809
• PubChem CID: 22484495

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5168581
• LogD (pH = 7.4): -0.105943546
• Log P: 2.5074313
• Molar Refractivity: 49.362 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.433

Product Information

• Purity: 95%