9-methyl-6,9-diazaspiro[4.5]decane

• ChemBase ID: 116971
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(CC2(NCC1)CCCC2)C
• Canonical SMILES: CN1CCNC2(C1)CCCC2
• InChI: InChI=1S/C9H18N2/c1-11-7-6-10-9(8-11)4-2-3-5-9/h10H,2-8H2,1H3
• InChIKey: MTJIOPLJIVEVOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-methyl-6,9-diazaspiro[4.5]decane
• IUPAC Traditional name: 9-methyl-6,9-diazaspiro[4.5]decane
• Synonyms: 9-methyl-6,9-diazaspiro[4.5]decane

Database IDs

• MDL Number: MFCD20427296
• PubChem SID: 162102151
• PubChem CID: 52416411

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4080353
• LogD (pH = 7.4): -1.5004938
• Log P: 0.93271166
• Molar Refractivity: 47.0463 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.027

Product Information

• Purity: 95+%