N-[(5-ethylpyridin-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

• ChemBase ID: 365850
• Molecular Formular: C18H31N3
• Molecular Mass: 289.45884
• Monoisotopic Mass: 289.25179801
• SMILES: N1C(CC(N(Cc2ncc(cc2)CC)C)CC1(C)C)(C)C
• Canonical SMILES: CCc1ccc(nc1)CN(C1CC(C)(C)NC(C1)(C)C)C
• InChI: InChI=1S/C18H31N3/c1-7-14-8-9-15(19-12-14)13-21(6)16-10-17(2,3)20-18(4,5)11-16/h8-9,12,16,20H,7,10-11,13H2,1-6H3
• InChIKey: UJVITDUMTAHCTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine
• Synonyms: N-[(5-ethylpyridin-2-yl)methyl]-N,2,2,6,6-pentamethylpiperidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.7995191
• LogD (pH = 7.4): -0.24413724
• Log P: 2.7744937
• Molar Refractivity: 89.8342 cm^3
• Polarizability: 35.661377 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.75
• LOG S: -2.21
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4