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

• ChemBase ID: 804898
• Molecular Formular: C17H27BN2O2
• Molecular Mass: 302.21948
• Monoisotopic Mass: 302.21655851
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)NC1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)NC1CCCCC1
• InChI: InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)14-11-8-12-15(20-14)19-13-9-6-5-7-10-13/h8,11-13H,5-7,9-10H2,1-4H3,(H,19,20)
• InChIKey: AUSZJUACMJASTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.140916
• LogD (pH = 7.4): 5.1446524
• Log P: 5.1447
• Molar Refractivity: 85.3912 cm^3
• Polarizability: 34.569477 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%