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

C30H66N6O9Si3 — CID 66863912

IUPAC2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(N)nc(N(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C30H66N6O9Si3/c1-10-37-46(38-11-2,39-12-3)25-19-22-32-29-33-28(31)34-30(35-29)36(23-20-26-47(40-13-4,41-14-5)42-15-6)24-21-27-48(43-16-7,44-17-8)45-18-9/h10-27H2,1-9H3,(H3,31,32,33,34,35)
InChIKeySGRUVYCRZZWZMX-UHFFFAOYSA-N
MW739.15 g/mol
LogP4.99
Rot. Bonds32

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

2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 66863912) has the molecular formula C30H66N6O9Si3 and a molecular weight of 739.15 g/mol. Its IUPAC name is 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID66863912
Molecular FormulaC30H66N6O9Si3
Molecular Weight739.15 g/mol
Exact Mass738.42
IUPAC Name2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCNc1nc(N)nc(N(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
InChIInChI=1S/C30H66N6O9Si3/c1-10-37-46(38-11-2,39-12-3)25-19-22-32-29-33-28(31)34-30(35-29)36(23-20-26-47(40-13-4,41-14-5)42-15-6)24-21-27-48(43-16-7,44-17-8)45-18-9/h10-27H2,1-9H3,(H3,31,32,33,34,35)
InChIKeySGRUVYCRZZWZMX-UHFFFAOYSA-N
XLogP4.99
TPSA163.03 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds32
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.15
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

4,6-Dichloro-N-[3-(triethoxysilyl)propyl]-1,3,5-triazin-2-amine
CID 14419237
n2,n4,n6-Tris(3-(triethoxysilyl)propyl)-1,3,5-triazine-2,4,6-triamine
CID 102416558
6-(3-Triethoxysilylpropyl)amino-1,3,5-triazine-2,4-dichloride
CID 129885958
2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 176847545
2-N,4-N-bis[3-[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 176847592
CID 134952008
CID 134952008
2-N,2-N,4-N-tris(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66864749
2-N-butyl-2-N,4-N-bis(3-trimethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66864782
4,6-diazido-N-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 89676516
4,6-diazido-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 89676622
6-azido-2-N,4-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
CID 89677720
6-azido-2-N,4-N-bis(6-triethoxysilylhexyl)-1,3,5-triazine-2,4-diamine
CID 89677740

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine (CID 66863912) is 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCNc1nc(N)nc(N(CCC[Si](OCC)(OCC)OCC)CCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC.
What is the InChIKey of 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is SGRUVYCRZZWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H66N6O9Si3/c1-10-37-46(38-11-2,39-12-3)25-19-22-32-29-33-28(31)34-30(35-29)36(23-20-26-47(40-13-4,41-14-5)42-15-6)24-21-27-48(43-16-7,44-17-8)45-18-9/h10-27H2,1-9H3,(H3,31,32,33,34,35).
What are the key properties of 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 739.15 g/mol, XLogP of 4.99, 32 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66863912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).