8-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 308906
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CCC2(CC1)CNCC2)C
• Canonical SMILES: CN1CCC2(CC1)CNCC2
• InChI: InChI=1S/C9H18N2/c1-11-6-3-9(4-7-11)2-5-10-8-9/h10H,2-8H2,1H3
• InChIKey: OULKIPPQVXRBPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 8-methyl-2,8-diazaspiro[4.5]decane

Database IDs

• CAS Number: 1158750-98-1
• MDL Number: MFCD11109551

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.516248
• LogD (pH = 7.4): -5.6742954
• Log P: 0.19899637
• Molar Refractivity: 47.629 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2

PROPERTIES

Product Information

• Purity: 97%