3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]

• ChemBase ID: 795974
• Molecular Formular: C14H19N
• Molecular Mass: 201.30736
• Monoisotopic Mass: 201.15174961
• SMILES: C12(CCCCC1)CCc1c(cccc1)N2
• Canonical SMILES: C1CCC2(CC1)CCc1c(N2)cccc1
• InChI: InChI=1S/C14H19N/c1-4-9-14(10-5-1)11-8-12-6-2-3-7-13(12)15-14/h2-3,6-7,15H,1,4-5,8-11H2
• InChIKey: JEJQRVJSXXFLEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
• IUPAC Traditional name: 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
• Synonyms: 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]

Database IDs

• CAS Number: 42899-94-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5667322
• LogD (pH = 7.4): 3.6523118
• Log P: 3.6535203
• Molar Refractivity: 65.0662 cm^3
• Polarizability: 24.704226 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%