(2-aminoethyl)(1,1-dimethoxy-3-methyl-2-silylbutan-2-yl)amine

• ChemBase ID: 112212
• Molecular Formular: C9H24N2O2Si
• Molecular Mass: 220.38456
• Monoisotopic Mass: 220.16070455
• SMILES: COC(OC)C([SiH3])(NCCN)C(C)C
• Canonical SMILES: NCCNC(C(OC)OC)(C(C)C)[SiH3]
• InChI: InChI=1S/C9H24N2O2Si/c1-7(2)9(14,11-6-5-10)8(12-3)13-4/h7-8,11H,5-6,10H2,1-4,14H3
• InChIKey: CFSYIAABANJDOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(1,1-dimethoxy-3-methyl-2-silylbutan-2-yl)amine
• IUPAC Traditional name: (2-aminoethyl)(1,1-dimethoxy-3-methyl-2-silylbutan-2-yl)amine
• Synonyms: N-(DIMETHOXYMETHYL SILYLISOBUTYL)ETHYLENEDIAMINE

Database IDs

• PubChem SID: 162106720
• PubChem CID: 44135539

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.150921
• LogD (pH = 7.4): -2.6248603
• Log P: -0.1476
• Molar Refractivity: 54.2401 cm^3
• Polarizability: 24.678368 Å^3
• Polar Surface Area: 56.51 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05222924

MP Biomedicals Rare Chemical collection