2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

C30H66N6O9Si3 — CID 102416558

IUPAC2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C30H66N6O9Si3/c1-10-37-46(38-11-2,39-12-3)25-19-22-31-28-34-29(32-23-20-26-47(40-13-4,41-14-5)42-15-6)36-30(35-28)33-24-21-27-48(43-16-7,44-17-8)45-18-9/h10-27H2,1-9H3,(H3,31,32,33,34,35,36)
InChIKeyBIEVCIRHXOKGMC-UHFFFAOYSA-N
MW739.15 g/mol
LogP5.42
Rot. Bonds33

About 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 102416558) has the molecular formula C30H66N6O9Si3 and a molecular weight of 739.15 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID102416558
Molecular FormulaC30H66N6O9Si3
Molecular Weight739.15 g/mol
Exact Mass738.42
IUPAC Name2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C30H66N6O9Si3/c1-10-37-46(38-11-2,39-12-3)25-19-22-31-28-34-29(32-23-20-26-47(40-13-4,41-14-5)42-15-6)36-30(35-28)33-24-21-27-48(43-16-7,44-17-8)45-18-9/h10-27H2,1-9H3,(H3,31,32,33,34,35,36)
InChIKeyBIEVCIRHXOKGMC-UHFFFAOYSA-N
XLogP5.42
TPSA157.83 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.15
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 102416558) is 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC.
What is the InChIKey of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BIEVCIRHXOKGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66N6O9Si3/c1-10-37-46(38-11-2,39-12-3)25-19-22-31-28-34-29(32-23-20-26-47(40-13-4,41-14-5)42-15-6)36-30(35-28)33-24-21-27-48(43-16-7,44-17-8)45-18-9/h10-27H2,1-9H3,(H3,31,32,33,34,35,36).
What are the key properties of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 739.15 g/mol, XLogP of 5.42, 33 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 102416558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).