2-methyl-2,7-diazaspiro[4.4]nonane

• ChemBase ID: 799734
• Molecular Formular: C8H16N2
• Molecular Mass: 140.22604
• Monoisotopic Mass: 140.13134852
• SMILES: C1N(CCC21CNCC2)C
• Canonical SMILES: CN1CCC2(C1)CNCC2
• InChI: InChI=1S/C8H16N2/c1-10-5-3-8(7-10)2-4-9-6-8/h9H,2-7H2,1H3
• InChIKey: OQHQOOLVQDEIGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2,7-diazaspiro[4.4]nonane
• IUPAC Traditional name: 2-methyl-2,7-diazaspiro[4.4]nonane
• Synonyms: 2-methyl-2,7-diazaspiro[4.4]nonane

Database IDs

• CAS Number: 135380-53-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -5.843189
• LogD (pH = 7.4): -3.979525
• Log P: -0.08966483
• Molar Refractivity: 42.874 cm^3
• Polarizability: 17.072641 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%