N-(pyridin-3-ylmethyl)-3-azaspiro[5.5]undecan-9-amine

• ChemBase ID: 551456
• Molecular Formular: C16H25N3
• Molecular Mass: 259.3898
• Monoisotopic Mass: 259.20484782
• SMILES: N1CCC2(CCC(NCc3cnccc3)CC2)CC1
• Canonical SMILES: N1CCC2(CC1)CCC(CC2)NCc1cccnc1
• InChI: InChI=1S/C16H25N3/c1-2-14(12-18-9-1)13-19-15-3-5-16(6-4-15)7-10-17-11-8-16/h1-2,9,12,15,17,19H,3-8,10-11,13H2
• InChIKey: YLJXIVKUWFTJPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-3-ylmethyl)-3-azaspiro[5.5]undecan-9-amine
• IUPAC Traditional name: N-(pyridin-3-ylmethyl)-3-azaspiro[5.5]undecan-9-amine
• Synonyms: N-(pyridin-3-ylmethyl)-3-azaspiro[5.5]undecan-9-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.86651
• LogD (pH = 7.4): -3.4303513
• Log P: 1.5603148
• Molar Refractivity: 78.4172 cm^3
• Polarizability: 31.308903 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.71
• LOG S: -0.24
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 3