2-ethyl-N-methylcyclohexan-1-amine

• ChemBase ID: 237467
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(C(CC)CCCC1)NC
• Canonical SMILES: CNC1CCCCC1CC
• InChI: InChI=1S/C9H19N/c1-3-8-6-4-5-7-9(8)10-2/h8-10H,3-7H2,1-2H3
• InChIKey: JXVOCMMENPUMMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-N-methylcyclohexan-1-amine
• IUPAC Traditional name: 2-ethyl-N-methylcyclohexan-1-amine
• Synonyms: 2-ethyl-N-methylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD14653864
• PubChem SID: 164293377
• PubChem CID: 58095435

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.82271516
• LogD (pH = 7.4): -0.6168218
• Log P: 2.4159336
• Molar Refractivity: 44.7802 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.561

Product Information

• Purity: 95%