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

• ChemBase ID: 800817
• Molecular Formular: C18H28N2O2
• Molecular Mass: 304.42712
• Monoisotopic Mass: 304.21507815
• SMILES: c1cc2c(cc1C(C)(C)C)C(CCN2C(=O)OC(C)(C)C)N
• Canonical SMILES: NC1CCN(c2c1cc(cc2)C(C)(C)C)C(=O)OC(C)(C)C
• InChI: InChI=1S/C18H28N2O2/c1-17(2,3)12-7-8-15-13(11-12)14(19)9-10-20(15)16(21)22-18(4,5)6/h7-8,11,14H,9-10,19H2,1-6H3
• InChIKey: RVMRQRDUYJFHEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42195433
• LogD (pH = 7.4): 1.6014861
• Log P: 3.3672996
• Molar Refractivity: 89.172 cm^3
• Polarizability: 35.028038 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%