4-cyclohexyl-4-ethylhexan-1-amine

• ChemBase ID: 275226
• Molecular Formular: C14H29N
• Molecular Mass: 211.38676
• Monoisotopic Mass: 211.22999993
• SMILES: C(C1CCCCC1)(CC)(CC)CCCN
• Canonical SMILES: NCCCC(C1CCCCC1)(CC)CC
• InChI: InChI=1S/C14H29N/c1-3-14(4-2,11-8-12-15)13-9-6-5-7-10-13/h13H,3-12,15H2,1-2H3
• InChIKey: FKNXEEWKBLCPDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclohexyl-4-ethylhexan-1-amine
• IUPAC Traditional name: 4-cyclohexyl-4-ethylhexan-1-amine
• Synonyms: 4-cyclohexyl-4-ethylhexan-1-amine

Database IDs

• MDL Number: MFCD18839134
• PubChem SID: 164331136
• PubChem CID: 54593588

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1968048
• LogD (pH = 7.4): 1.6169548
• Log P: 4.2207804
• Molar Refractivity: 67.7695 cm^3
• Polarizability: 27.37412 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.429

Product Information

• Purity: 95%