(4-ethylcyclohexyl)methanamine

• ChemBase ID: 261619
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: NCC1CCC(CC1)CC
• Canonical SMILES: CCC1CCC(CC1)CN
• InChI: InChI=1S/C9H19N/c1-2-8-3-5-9(7-10)6-4-8/h8-9H,2-7,10H2,1H3
• InChIKey: NYZHAHHOBPMFSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-ethylcyclohexyl)methanamine
• IUPAC Traditional name: (4-ethylcyclohexyl)methanamine
• Synonyms: (4-ethylcyclohexyl)methanamine

Database IDs

• MDL Number: MFCD11641535
• PubChem SID: 164317529
• PubChem CID: 22484506

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8038772
• LogD (pH = 7.4): -0.3929627
• Log P: 2.2204123
• Molar Refractivity: 44.8134 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.034

Product Information

• Purity: 95%