N,4,4-trimethylcyclohexan-1-amine

• ChemBase ID: 237082
• Molecular Formular: C9H19N
• Molecular Mass: 141.25386
• Monoisotopic Mass: 141.15174961
• SMILES: C1(CCC(NC)CC1)(C)C
• Canonical SMILES: CNC1CCC(CC1)(C)C
• InChI: InChI=1S/C9H19N/c1-9(2)6-4-8(10-3)5-7-9/h8,10H,4-7H2,1-3H3
• InChIKey: DZLKSRBEYWGUNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4,4-trimethylcyclohexan-1-amine
• IUPAC Traditional name: N,4,4-trimethylcyclohexan-1-amine
• Synonyms: N,4,4-trimethylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD19223183
• PubChem SID: 164292992
• PubChem CID: 550846

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0438104
• LogD (pH = 7.4): -0.7758769
• Log P: 2.1934583
• Molar Refractivity: 44.7313 cm^3
• Polarizability: 18.13941 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.551

Product Information

• Purity: 95%