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

• ChemBase ID: 804897
• Molecular Formular: C16H25BN2O2
• Molecular Mass: 288.1929
• Monoisotopic Mass: 288.20090845
• SMILES: CC1(C)OB(OC1(C)C)c1nc(ccc1)NC1CCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1cccc(n1)NC1CCCC1
• InChI: InChI=1S/C16H25BN2O2/c1-15(2)16(3,4)21-17(20-15)13-10-7-11-14(19-13)18-12-8-5-6-9-12/h7,10-12H,5-6,8-9H2,1-4H3,(H,18,19)
• InChIKey: FJYXHAJSEWJCPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.7446156
• LogD (pH = 7.4): 4.748352
• Log P: 4.7484
• Molar Refractivity: 80.7902 cm^3
• Polarizability: 32.72628 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%