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

• ChemBase ID: 188902
• Molecular Formular: C15H22ClN
• Molecular Mass: 251.79488
• Monoisotopic Mass: 251.14407739
• SMILES: N1c2c(C(CC31CCCCC3)C)cccc2.Cl
• Canonical SMILES: CC1CC2(CCCCC2)Nc2c1cccc2.Cl
• InChI: InChI=1S/C15H21N.ClH/c1-12-11-15(9-5-2-6-10-15)16-14-8-4-3-7-13(12)14;/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3;1H
• InChIKey: LDHPIHUDEYMXGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244812
• PubChem CID: 52993631

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.8616285
• LogD (pH = 7.4): 3.9394507
• Log P: 3.9405394
• Molar Refractivity: 69.6148 cm^3
• Polarizability: 26.550108 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds