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

C23H51N7O6Si2 — CID 123224676

IUPAC2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCNC)n1)(OCC)OCC
InChIInChI=1S/C23H51N7O6Si2/c1-8-31-37(32-9-2,33-10-3)18-14-16-25-21-28-22(30-23(29-21)27-20-24-7)26-17-15-19-38(34-11-4,35-12-5)36-13-6/h24H,8-20H2,1-7H3,(H3,25,26,27,28,29,30)
InChIKeyJEZCLCPTXXPXMV-UHFFFAOYSA-N
MW577.88 g/mol
LogP3.16
Rot. Bonds25

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

2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 123224676) has the molecular formula C23H51N7O6Si2 and a molecular weight of 577.88 g/mol. Its IUPAC name is 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID123224676
Molecular FormulaC23H51N7O6Si2
Molecular Weight577.88 g/mol
Exact Mass577.34
IUPAC Name2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCNC)n1)(OCC)OCC
InChIInChI=1S/C23H51N7O6Si2/c1-8-31-37(32-9-2,33-10-3)18-14-16-25-21-28-22(30-23(29-21)27-20-24-7)26-17-15-19-38(34-11-4,35-12-5)36-13-6/h24H,8-20H2,1-7H3,(H3,25,26,27,28,29,30)
InChIKeyJEZCLCPTXXPXMV-UHFFFAOYSA-N
XLogP3.16
TPSA142.17 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.88
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-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-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 123224676) is 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCNc1nc(NCCC[Si](OCC)(OCC)OCC)nc(NCNC)n1)(OCC)OCC.
What is the InChIKey of 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JEZCLCPTXXPXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H51N7O6Si2/c1-8-31-37(32-9-2,33-10-3)18-14-16-25-21-28-22(30-23(29-21)27-20-24-7)26-17-15-19-38(34-11-4,35-12-5)36-13-6/h24H,8-20H2,1-7H3,(H3,25,26,27,28,29,30).
What are the key properties of 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 577.88 g/mol, XLogP of 3.16, 25 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 123224676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).