N-(2-methylpropyl)cyclohexanamine

• ChemBase ID: 255552
• Molecular Formular: C10H21N
• Molecular Mass: 155.28044
• Monoisotopic Mass: 155.16739968
• SMILES: N(CC(C)C)C1CCCCC1
• Canonical SMILES: CC(CNC1CCCCC1)C
• InChI: InChI=1S/C10H21N/c1-9(2)8-11-10-6-4-3-5-7-10/h9-11H,3-8H2,1-2H3
• InChIKey: ARHUUPGCYHESJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)cyclohexanamine
• IUPAC Traditional name: N-(2-methylpropyl)cyclohexanamine
• Synonyms: N-(2-methylpropyl)cyclohexanamine

Database IDs

• MDL Number: MFCD11138566
• PubChem SID: 164311462
• PubChem CID: 84918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.38928616
• LogD (pH = 7.4): -0.253359
• Log P: 2.8506951
• Molar Refractivity: 49.4518 cm^3
• Polarizability: 19.986317 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.97

Product Information

• Purity: 95%