N-(cyclohexylmethyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

• ChemBase ID: 810315
• Molecular Formular: C18H29BN2O2
• Molecular Mass: 316.24606
• Monoisotopic Mass: 316.23220858
• SMILES: CC1(C)OB(OC1(C)C)c1ccc(nc1)NCC1CCCCC1
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ccc(nc1)NCC1CCCCC1
• InChI: InChI=1S/C18H29BN2O2/c1-17(2)18(3,4)23-19(22-17)15-10-11-16(21-13-15)20-12-14-8-6-5-7-9-14/h10-11,13-14H,5-9,12H2,1-4H3,(H,20,21)
• InChIKey: SSFGOSPKVWPAJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohexylmethyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• IUPAC Traditional name: N-(cyclohexylmethyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• Synonyms: 2-(CYCLOHEXYLMETHYLAMINO)PYRIDINE-5-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.4917746
• LogD (pH = 7.4): 4.7550964
• Log P: 4.7598
• Molar Refractivity: 89.8085 cm^3
• Polarizability: 36.407906 Å^3
• Polar Surface Area: 43.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%