bis(cyclohexylmethyl)amine

• ChemBase ID: 263479
• Molecular Formular: C14H27N
• Molecular Mass: 209.37088
• Monoisotopic Mass: 209.21434987
• SMILES: N(CC1CCCCC1)CC1CCCCC1
• Canonical SMILES: N(CC1CCCCC1)CC1CCCCC1
• InChI: InChI=1S/C14H27N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h13-15H,1-12H2
• InChIKey: JLURWBIBHMXAHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyclohexylmethyl)amine
• IUPAC Traditional name: bis(cyclohexylmethyl)amine
• Synonyms: bis(cyclohexylmethyl)amine

Database IDs

• MDL Number: MFCD00962235
• PubChem SID: 164319389
• PubChem CID: 4594378

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.79553896
• LogD (pH = 7.4): 0.92178804
• Log P: 4.035688
• Molar Refractivity: 66.1834 cm^3
• Polarizability: 26.631351 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.782

Product Information

• Purity: 95%