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

• ChemBase ID: 195076
• Molecular Formular: C15H21ClIN
• Molecular Mass: 377.69141
• Monoisotopic Mass: 377.04072536
• SMILES: N1c2c(C(CC31CCCCC3)C)cc(cc2)I.Cl
• Canonical SMILES: Ic1ccc2c(c1)C(C)CC1(N2)CCCCC1.Cl
• InChI: InChI=1S/C15H20IN.ClH/c1-11-10-15(7-3-2-4-8-15)17-14-6-5-12(16)9-13(11)14;/h5-6,9,11,17H,2-4,7-8,10H2,1H3;1H
• InChIKey: IZBXOMCYZRUSRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164250986
• PubChem CID: 52993815

CALCULATED PROPERTIES

• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.811665
• LogD (pH = 7.4): 4.8687057
• Log P: 4.869484
• Molar Refractivity: 82.9773 cm^3
• Polarizability: 31.494541 Å^3

PROPERTIES

Product Information

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