tert-butyl 4-amino-6-cyclohexyl-1,2,3,4-tetrahydroquinoline-1-carboxylate

• ChemBase ID: 800811
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: c1cc2c(cc1C1CCCCC1)C(CCN2C(=O)OC(C)(C)C)N
• Canonical SMILES: O=C(N1CCC(c2c1ccc(c2)C1CCCCC1)N)OC(C)(C)C
• InChI: InChI=1S/C20H30N2O2/c1-20(2,3)24-19(23)22-12-11-17(21)16-13-15(9-10-18(16)22)14-7-5-4-6-8-14/h9-10,13-14,17H,4-8,11-12,21H2,1-3H3
• InChIKey: JFCXZGOXTAGLMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-amino-6-cyclohexyl-1,2,3,4-tetrahydroquinoline-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-amino-6-cyclohexyl-3,4-dihydro-2H-quinoline-1-carboxylate
• Synonyms: tert-butyl 4-amino-6-cyclohexyl-3,4-dihydroquinoline-1(2H)-carboxylate

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.99130243
• LogD (pH = 7.4): 2.1684356
• Log P: 3.9372325
• Molar Refractivity: 96.6977 cm^3
• Polarizability: 37.983543 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%