9-ethyl-6,9-diazaspiro[4.5]decane

• ChemBase ID: 116972
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: N1(CC2(NCC1)CCCC2)CC
• Canonical SMILES: CCN1CCNC2(C1)CCCC2
• InChI: InChI=1S/C10H20N2/c1-2-12-8-7-11-10(9-12)5-3-4-6-10/h11H,2-9H2,1H3
• InChIKey: HYPFMRATBGHZOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-ethyl-6,9-diazaspiro[4.5]decane
• IUPAC Traditional name: 9-ethyl-6,9-diazaspiro[4.5]decane
• Synonyms: 9-ethyl-6,9-diazaspiro[4.5]decane

Database IDs

• MDL Number: MFCD20427287
• PubChem SID: 162102367
• PubChem CID: 52416413

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5039458
• LogD (pH = 7.4): -1.3025976
• Log P: 1.2895197
• Molar Refractivity: 51.7949 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.368

Product Information

• Purity: 95+%