(E)-N-[1-(pyridin-2-yl)decylidene]hydroxylamine

• ChemBase ID: 121759
• Molecular Formular: C15H24N2O
• Molecular Mass: 248.36386
• Monoisotopic Mass: 248.1888634
• SMILES: C(=N\O)(/c1ncccc1)\CCCCCCCCC
• Canonical SMILES: CCCCCCCCC/C(=N\O)/c1ccccn1
• InChI: InChI=1S/C15H24N2O/c1-2-3-4-5-6-7-8-12-15(17-18)14-11-9-10-13-16-14/h9-11,13,18H,2-8,12H2,1H3/b17-15+
• InChIKey: BQLQVZJEOAXVOR-BMRADRMJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N-[1-(pyridin-2-yl)decylidene]hydroxylamine
• IUPAC Traditional name: (E)-N-[1-(pyridin-2-yl)decylidene]hydroxylamine
• Synonyms: (E)-1-(pyridin-2-yl)decan-1-one oxime

Database IDs

• PubChem SID: 162216112
• PubChem CID: 6508690

CALCULATED PROPERTIES

• Acid pKa: 9.39819
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.5197163
• LogD (pH = 7.4): 4.515958
• Log P: 4.5210676
• Molar Refractivity: 74.5875 cm^3
• Polarizability: 29.265188 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true