tert-butyl 4-amino-6-(propan-2-yl)-1,2,3,4-tetrahydroquinoline-1-carboxylate

• ChemBase ID: 800819
• Molecular Formular: C17H26N2O2
• Molecular Mass: 290.40054
• Monoisotopic Mass: 290.19942808
• SMILES: c1cc2c(cc1C(C)C)C(CCN2C(=O)OC(C)(C)C)N
• Canonical SMILES: O=C(N1CCC(c2c1ccc(c2)C(C)C)N)OC(C)(C)C
• InChI: InChI=1S/C17H26N2O2/c1-11(2)12-6-7-15-13(10-12)14(18)8-9-19(15)16(20)21-17(3,4)5/h6-7,10-11,14H,8-9,18H2,1-5H3
• InChIKey: HIMCVESZNWTYBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12070206
• LogD (pH = 7.4): 1.2952722
• Log P: 3.0672524
• Molar Refractivity: 84.6969 cm^3
• Polarizability: 33.185566 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%