8-ethyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 58151
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: C12(CCNC1)CCN(CC2)CC
• Canonical SMILES: CCN1CCC2(CC1)CNCC2
• InChI: InChI=1S/C10H20N2/c1-2-12-7-4-10(5-8-12)3-6-11-9-10/h11H,2-9H2,1H3
• InChIKey: LBJYTUPXMFMNOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-ethyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-ethyl-2,8-diazaspiro[4.5]decane
• Synonyms: 8-Ethyl-2,8-diazaspiro[4.5]decane

Database IDs

• MDL Number: MFCD15146422
• PubChem SID: 162062914
• PubChem CID: 46318290

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -6.1477575
• LogD (pH = 7.4): -5.177559
• Log P: 0.5558043
• Molar Refractivity: 52.3776 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false