4',6'-dimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

• ChemBase ID: 188606
• Molecular Formular: C16H24ClN
• Molecular Mass: 265.82146
• Monoisotopic Mass: 265.15972745
• SMILES: N1c2c(C(CC31CCCCC3)C)cc(cc2)C.Cl
• Canonical SMILES: Cc1ccc2c(c1)C(C)CC1(N2)CCCCC1.Cl
• InChI: InChI=1S/C16H23N.ClH/c1-12-6-7-15-14(10-12)13(2)11-16(17-15)8-4-3-5-9-16;/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3;1H
• InChIKey: PPSAANJMIVVEEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4',6'-dimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride
• IUPAC Traditional name: 4',6'-dimethyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] hydrochloride

Database IDs

• PubChem SID: 164244516
• PubChem CID: 17037737

CALCULATED PROPERTIES

• LogD (pH = 5.5): 4.2657747
• LogD (pH = 7.4): 4.451001
• Log P: 4.453961
• Molar Refractivity: 74.656 cm^3
• Polarizability: 28.315268 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds