1-cyclohexylethan-1-amine

• ChemBase ID: 267508
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C(C1CCCCC1)(N)C
• Canonical SMILES: CC(C1CCCCC1)N
• InChI: InChI=1S/C8H17N/c1-7(9)8-5-3-2-4-6-8/h7-8H,2-6,9H2,1H3
• InChIKey: XBWOPGDJMAJJDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylethan-1-amine
• IUPAC Traditional name: 1-cyclohexylethanamine
• Synonyms: 1-cyclohexylethan-1-amine; (1-cyclohexylethyl)amine

Database IDs

• CAS Number: 54423-01-7
• MDL Number: MFCD07809535
• PubChem SID: 164323418
• PubChem CID: 110733

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1225548
• LogD (pH = 7.4): -0.83788013
• Log P: 1.9053994
• Molar Refractivity: 40.0826 cm^3
• Polarizability: 16.292534 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.295

Product Information

• Purity: 95%