2-[2-methyl-2-(morpholin-4-yl)propyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 567619
• Molecular Formular: C16H31N3O
• Molecular Mass: 281.43684
• Monoisotopic Mass: 281.24671263
• SMILES: N1(CC(N2CCOCC2)(C)C)CC2(CC1)CNCCC2
• Canonical SMILES: CC(N1CCOCC1)(CN1CCC2(C1)CCCNC2)C
• InChI: InChI=1S/C16H31N3O/c1-15(2,19-8-10-20-11-9-19)13-18-7-5-16(14-18)4-3-6-17-12-16/h17H,3-14H2,1-2H3
• InChIKey: VJHSZQDEGLVRED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-methyl-2-(morpholin-4-yl)propyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[2-methyl-2-(morpholin-4-yl)propyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(2-methyl-2-morpholin-4-ylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.2055173
• LogD (pH = 7.4): -3.0209634
• Log P: 0.8521996
• Molar Refractivity: 83.6256 cm^3
• Polarizability: 33.29172 Å^3
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.31
• LOG S: -1.36
• Polar Surface Area: 27.74 Å^2
• Rotatable Bonds: 3