3-methyl-3,9-diazaspiro[5.5]undecane

• ChemBase ID: 799732
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: C1CN(CCC21CCNCC2)C
• Canonical SMILES: CN1CCC2(CC1)CCNCC2
• InChI: InChI=1S/C10H20N2/c1-12-8-4-10(5-9-12)2-6-11-7-3-10/h11H,2-9H2,1H3
• InChIKey: OFXQSNLQXDCJCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-3,9-diazaspiro[5.5]undecane
• IUPAC Traditional name: 3-methyl-3,9-diazaspiro[5.5]undecane
• Synonyms: 3-methyl-3,9-diazaspiro[5.5]undecane

Database IDs

• CAS Number: 13323-45-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.214418
• LogD (pH = 7.4): -4.9441066
• Log P: 0.48765758
• Molar Refractivity: 52.384 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%