4-ethyl-4-methylcyclohexan-1-amine

• ChemBase ID: 235606
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(CCC(N)CC1)(CC)C
• Canonical SMILES: CCC1(C)CCC(CC1)N
• InChI: InChI=1S/C9H19N/c1-3-9(2)6-4-8(10)5-7-9/h8H,3-7,10H2,1-2H3
• InChIKey: NKTOOIBWEAQHBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-4-methylcyclohexan-1-amine
• IUPAC Traditional name: 4-ethyl-4-methylcyclohexan-1-amine
• Synonyms: 4-ethyl-4-methylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD22196415
• PubChem SID: 164291516
• PubChem CID: 68621324

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.82249135
• LogD (pH = 7.4): -0.53715986
• Log P: 2.2054465
• Molar Refractivity: 44.5577 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): 2.934

Product Information

• Purity: 95%