1-(cyclohex-1-en-1-yl)ethan-1-amine

• ChemBase ID: 307656
• Molecular Formular: C8H15N
• Molecular Mass: 125.2114
• Monoisotopic Mass: 125.12044949
• SMILES: C1(=CCCCC1)C(N)C
• Canonical SMILES: CC(C1=CCCCC1)N
• InChI: InChI=1S/C8H15N/c1-7(9)8-5-3-2-4-6-8/h5,7H,2-4,6,9H2,1H3
• InChIKey: DYOAYILVQKBJOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohex-1-en-1-yl)ethan-1-amine
• IUPAC Traditional name: 1-(cyclohex-1-en-1-yl)ethanamine
• Synonyms: (1-cyclohex-1-en-1-ylethyl)amine

Database IDs

• MDL Number: MFCD09971195

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.4364536
• LogD (pH = 7.4): -0.80021983
• Log P: 1.5777737
• Molar Refractivity: 40.8556 cm^3
• Polarizability: 16.06087 Å^3
• Polar Surface Area: 26.02 Å^2