1'H-spiro[cyclohexane-1,2'-quinoline]

• ChemBase ID: 795973
• Molecular Formular: C14H17N
• Molecular Mass: 199.29148
• Monoisotopic Mass: 199.13609955
• SMILES: C12(CCCCC1)C=Cc1c(cccc1)N2
• Canonical SMILES: C1CCC2(CC1)C=Cc1c(N2)cccc1
• InChI: InChI=1S/C14H17N/c1-4-9-14(10-5-1)11-8-12-6-2-3-7-13(12)15-14/h2-3,6-8,11,15H,1,4-5,9-10H2
• InChIKey: RAZSMEDFNMNQPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1'H-spiro[cyclohexane-1,2'-quinoline]
• IUPAC Traditional name: 1'H-spiro[cyclohexane-1,2'-quinoline]
• Synonyms: 1'H-spiro[cyclohexane-1,2'-quinoline]

Database IDs

• CAS Number: 25337-81-9

CALCULATED PROPERTIES

• Acid pKa: 18.852427
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5106866
• LogD (pH = 7.4): 3.529955
• Log P: 3.5302062
• Molar Refractivity: 66.0288 cm^3
• Polarizability: 24.62848 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%