2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine

C29H61N7O8Si — CID 150597941

IUPAC2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCOCN(COCC)c1nc(N(COCC)COCC)nc(N(COCC)CN(C)CCC[Si](OCC)(OCC)OCC)n1
InChIInChI=1S/C29H61N7O8Si/c1-10-37-22-34(21-33(9)19-18-20-45(42-15-6,43-16-7)44-17-8)27-30-28(35(23-38-11-2)24-39-12-3)32-29(31-27)36(25-40-13-4)26-41-14-5/h10-26H2,1-9H3
InChIKeyIRGIPIFYMIKORL-UHFFFAOYSA-N
MW663.93 g/mol
LogP3.59
Rot. Bonds30

About 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 150597941) has the molecular formula C29H61N7O8Si and a molecular weight of 663.93 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID150597941
Molecular FormulaC29H61N7O8Si
Molecular Weight663.93 g/mol
Exact Mass663.44
IUPAC Name2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCOCN(COCC)c1nc(N(COCC)COCC)nc(N(COCC)CN(C)CCC[Si](OCC)(OCC)OCC)n1
InChIInChI=1S/C29H61N7O8Si/c1-10-37-22-34(21-33(9)19-18-20-45(42-15-6,43-16-7)44-17-8)27-30-28(35(23-38-11-2)24-39-12-3)32-29(31-27)36(25-40-13-4)26-41-14-5/h10-26H2,1-9H3
InChIKeyIRGIPIFYMIKORL-UHFFFAOYSA-N
XLogP3.59
TPSA125.47 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.93
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine (CID 150597941) is 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine is CCOCN(COCC)c1nc(N(COCC)COCC)nc(N(COCC)CN(C)CCC[Si](OCC)(OCC)OCC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IRGIPIFYMIKORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61N7O8Si/c1-10-37-22-34(21-33(9)19-18-20-45(42-15-6,43-16-7)44-17-8)27-30-28(35(23-38-11-2)24-39-12-3)32-29(31-27)36(25-40-13-4)26-41-14-5/h10-26H2,1-9H3.
What are the key properties of 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 663.93 g/mol, XLogP of 3.59, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N-pentakis(ethoxymethyl)-6-N-[[methyl(3-triethoxysilylpropyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 150597941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).