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

• ChemBase ID: 309081
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC2(CC1)CCNCC2)C
• Canonical SMILES: CN1CCC2(C1)CCNCC2
• InChI: InChI=1S/C9H18N2/c1-11-7-4-9(8-11)2-5-10-6-3-9/h10H,2-8H2,1H3
• InChIKey: SEXCXAIQIMWSBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1061873-16-2
• MDL Number: MFCD11043247

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.4771185
• LogD (pH = 7.4): -4.9833245
• Log P: 0.19899637
• Molar Refractivity: 47.629 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%