7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 625546
• Molecular Formular: C13H24N2O
• Molecular Mass: 224.34246
• Monoisotopic Mass: 224.1888634
• SMILES: C1(=O)N(CC(C)(C)C)CCCC21CNCC2
• Canonical SMILES: O=C1N(CCCC21CNCC2)CC(C)(C)C
• InChI: InChI=1S/C13H24N2O/c1-12(2,3)10-15-8-4-5-13(11(15)16)6-7-14-9-13/h14H,4-10H2,1-3H3
• InChIKey: QCVJFCWSLBWABF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8555032
• LogD (pH = 7.4): -1.5698873
• Log P: 1.3813345
• Molar Refractivity: 65.4486 cm^3
• Polarizability: 25.950315 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 1.76
• LOG S: -2.34
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2