3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]-7'-amine

• ChemBase ID: 795976
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: C12(CCCCC1)CCc1c(cc(cc1)N)N2
• Canonical SMILES: Nc1ccc2c(c1)NC1(CC2)CCCCC1
• InChI: InChI=1S/C14H20N2/c15-12-5-4-11-6-9-14(16-13(11)10-12)7-2-1-3-8-14/h4-5,10,16H,1-3,6-9,15H2
• InChIKey: ZLBLWHFXAQLHLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]-7'-amine
• IUPAC Traditional name: 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]-7'-amine
• Synonyms: 3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinolin]-7'-aMine

Database IDs

• CAS Number: 201654-33-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.5464609
• LogD (pH = 7.4): 2.8197508
• Log P: 2.8245945
• Molar Refractivity: 69.7666 cm^3
• Polarizability: 25.823734 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%