2,8-diazaspiro[5.5]undecane

• ChemBase ID: 282845
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: C12(CNCCC1)CNCCC2
• Canonical SMILES: C1CCC2(CN1)CCCNC2
• InChI: InChI=1S/C9H18N2/c1-3-9(7-10-5-1)4-2-6-11-8-9/h10-11H,1-8H2
• InChIKey: BCDGPDCQBUYTMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,8-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2,8-diazaspiro[5.5]undecane
• Synonyms: 2,8-diazaspiro[5.5]undecane

Database IDs

• MDL Number: MFCD11043254
• PubChem SID: 180668376
• PubChem CID: 15634715

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -5.5763917
• LogD (pH = 7.4): -3.5801647
• Log P: 0.41642457
• Molar Refractivity: 46.7813 cm^3
• Polarizability: 18.918522 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.507

Product Information

• Purity: 95%