N-cyclobutyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase ID: 804896
• Molecular Formular: C15H23BN2O2
• Molecular Mass: 274.16632
• Monoisotopic Mass: 274.18525839
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)NC1CCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)NC1CCC1
• InChI: InChI=1S/C15H23BN2O2/c1-14(2)15(3,4)20-16(19-14)12-9-6-10-13(18-12)17-11-7-5-8-11/h6,9-11H,5,7-8H2,1-4H3,(H,17,18)
• InChIKey: ISWNYJIAZWVVHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-cyclobutyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 6-(CYCLOBUTYLAMINO)PYRIDINE-2-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.3483157
• LogD (pH = 7.4): 4.352052
• Log P: 4.3521
• Molar Refractivity: 76.1892 cm^3
• Polarizability: 30.8835 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%