diethyl(1,4,6,9-tetraoxa-5$l^{5}-phosphaspiro[4.4]nonan-5-ylmethyl)amine

• ChemBase ID: 81866
• Molecular Formular: C9H20NO4P
• Molecular Mass: 237.233161
• Monoisotopic Mass: 237.11299476
• SMILES: P12(CN(CC)CC)(OCCO1)OCCO2
• Canonical SMILES: CCN(CP12(OCCO2)OCCO1)CC
• InChI: InChI=1S/C9H20NO4P/c1-3-10(4-2)9-15(11-5-6-12-15)13-7-8-14-15/h3-9H2,1-2H3
• InChIKey: ZHVROAJAQSOFQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl(1,4,6,9-tetraoxa-5$l^{5}-phosphaspiro[4.4]nonan-5-ylmethyl)amine
• IUPAC Traditional name: diethyl(1,4,6,9-tetraoxa-5$l^{5}-phosphaspiro[4.4]nonan-5-ylmethyl)amine
• Synonyms: N1-ethyl-N1-(1,4,6,9-tetraoxa-5lambda~5~-phosphaspiro[4.4]non-5-ylmethyl)ethan-1-amine

Database IDs

• MDL Number: MFCD00219311
• PubChem SID: 162068985
• PubChem CID: 2777862

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19538584
• LogD (pH = 7.4): 1.5562812
• Log P: 1.6997
• Molar Refractivity: 57.6589 cm^3
• Polarizability: 23.66892 Å^3
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true