1-methyl-1,8-diazaspiro[4.5]decane

• ChemBase ID: 246376
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1(C2(CCNCC2)CCC1)C
• Canonical SMILES: CN1CCCC21CCNCC2
• InChI: InChI=1S/C9H18N2/c1-11-8-2-3-9(11)4-6-10-7-5-9/h10H,2-8H2,1H3
• InChIKey: MHDXQGAXZKINFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-methyl-1,8-diazaspiro[4.5]decane
• Synonyms: 1-methyl-1,8-diazaspiro[4.5]decane

Database IDs

• MDL Number: MFCD11109553
• PubChem SID: 164302286
• PubChem CID: 49759483

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.9264975
• LogD (pH = 7.4): -3.9168003
• Log P: 0.16349384
• Molar Refractivity: 47.5751 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

• Hydrophobicity(logP): 0.394

Product Information

• Purity: 95%; 97%