[2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

C23H48N3O5Si2+ — CID 89221817

About [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium

[2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (PubChem CID 89221817) has the molecular formula C23H48N3O5Si2+ and a molecular weight of 502.83 g/mol. Its IUPAC name is [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

Molecular Properties

• Compound Name: [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
• PubChem CID: 89221817
• Molecular Formula: C23H48N3O5Si2+
• Molecular Weight: 502.83 g/mol
• Exact Mass: 502.31
• IUPAC Name: [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
• SMILES: C=C(C)C(=O)OCC[N+](C)(C)CC(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)CC
• InChI: InChI=1S/C23H47N3O5Si2/c1-10-21(27)24-13-11-17-32(6,7)31-33(8,9)18-12-14-25-22(28)19-26(4,5)15-16-30-23(29)20(2)3/h2,10-19H2,1,3-9H3,(H-,24,25,27,28)/p+1
• InChIKey: LDWSRMHDJPYIOA-UHFFFAOYSA-O
• XLogP: 3.03
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 17
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.83
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?

The IUPAC name of [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium (CID 89221817) is [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium.

What is the SMILES notation for [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?

The canonical SMILES for [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is C=C(C)C(=O)OCC[N+](C)(C)CC(=O)NCCC[Si](C)(C)O[Si](C)(C)CCCNC(=O)CC.

What is the InChIKey of [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?

The InChIKey is LDWSRMHDJPYIOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H47N3O5Si2/c1-10-21(27)24-13-11-17-32(6,7)31-33(8,9)18-12-14-25-22(28)19-26(4,5)15-16-30-23(29)20(2)3/h2,10-19H2,1,3-9H3,(H-,24,25,27,28)/p+1.

What are the key properties of [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium?

[2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium has a molecular weight of 502.83 g/mol, XLogP of 3.03, 17 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[[dimethyl-[3-(propanoylamino)propyl]silyl]oxy-dimethylsilyl]propylamino]-2-oxoethyl]-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium is sourced from PubChem (CID 89221817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).