5,8-diazaspiro[3.5]nonane

• ChemBase ID: 807760
• Molecular Formular: C7H14N2
• Molecular Mass: 126.19946
• Monoisotopic Mass: 126.11569846
• SMILES: C1CCC21NCCNC2
• Canonical SMILES: C1CNC2(CN1)CCC2
• InChI: InChI=1S/C7H14N2/c1-2-7(3-1)6-8-4-5-9-7/h8-9H,1-6H2
• InChIKey: GGRDXGCQBQZPNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,8-diazaspiro[3.5]nonane
• IUPAC Traditional name: 5,8-diazaspiro[3.5]nonane
• Synonyms: 5,8-DIAZASPIRO[3.5]NONANE

Database IDs

• CAS Number: 90566-57-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3211033
• LogD (pH = 7.4): -2.1267705
• Log P: 0.10509509
• Molar Refractivity: 37.1506 cm^3
• Polarizability: 15.227027 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%