8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione

• ChemBase ID: 251131
• Molecular Formular: C13H22N2O2
• Molecular Mass: 238.32598
• Monoisotopic Mass: 238.16812795
• SMILES: N1C(=O)NC2(C1=O)CCC(C(CC)(C)C)CC2
• Canonical SMILES: CCC(C1CCC2(CC1)NC(=O)NC2=O)(C)C
• InChI: InChI=1S/C13H22N2O2/c1-4-12(2,3)9-5-7-13(8-6-9)10(16)14-11(17)15-13/h9H,4-8H2,1-3H3,(H2,14,15,16,17)
• InChIKey: PTMDUDZKTQCJTN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
• IUPAC Traditional name: 8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione
• Synonyms: 8-(1,1-dimethylpropyl)-1,3-diazaspiro[4.5]decane-2,4-dione

Database IDs

• MDL Number: MFCD04632144
• PubChem SID: 164307041
• PubChem CID: 3290351

CALCULATED PROPERTIES

• Acid pKa: 10.194926
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3404112
• LogD (pH = 7.4): 2.339732
• Log P: 2.3404198
• Molar Refractivity: 64.8744 cm^3
• Polarizability: 25.645443 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 250 - 252°C
• Hydrophobicity(logP): 2.675

Product Information

• Purity: 95%