1,4-diazaspiro[5.5]undecane

• ChemBase ID: 283169
• Molecular Formular: C9H18N2
• Molecular Mass: 154.25262
• Monoisotopic Mass: 154.14699859
• SMILES: N1C2(CNCC1)CCCCC2
• Canonical SMILES: C1CCC2(CC1)CNCCN2
• InChI: InChI=1S/C9H18N2/c1-2-4-9(5-3-1)8-10-6-7-11-9/h10-11H,1-8H2
• InChIKey: VVBIFWHTQJEQQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diazaspiro[5.5]undecane
• IUPAC Traditional name: 1,4-diazaspiro[5.5]undecane
• Synonyms: 1,4-diazaspiro[5.5]undecane; 1,4-DIAZA-SPIRO[5.5]UNDECANE

Database IDs

• CAS Number: 180-76-7
• MDL Number: MFCD07373058
• PubChem SID: 180668700
• PubChem CID: 10630733

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.5498898
• LogD (pH = 7.4): -1.4138556
• Log P: 0.9942324
• Molar Refractivity: 46.3526 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%; 98%