3-ethylcyclohexan-1-amine

• ChemBase ID: 275864
• Molecular Formular: C8H17N
• Molecular Mass: 127.22728
• Monoisotopic Mass: 127.13609955
• SMILES: C1C(N)CCCC1CC
• Canonical SMILES: CCC1CCCC(C1)N
• InChI: InChI=1S/C8H17N/c1-2-7-4-3-5-8(9)6-7/h7-8H,2-6,9H2,1H3
• InChIKey: AYIHVGHQMYIGRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethylcyclohexan-1-amine
• IUPAC Traditional name: 3-ethylcyclohexan-1-amine
• Synonyms: 3-ethylcyclohexan-1-amine

Database IDs

• MDL Number: MFCD19381971
• PubChem SID: 164331774
• PubChem CID: 21572670

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1224552
• LogD (pH = 7.4): -0.83380073
• 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): 2.415

Product Information

• Purity: 95%