2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine

C21H45N5O6Si2 — CID 141380911

IUPAC2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1ncnc(N)n1)(OCC)OCC
InChIInChI=1S/C21H45N5O6Si2/c1-7-27-33(28-8-2,29-9-3)17-13-15-26(21-24-19-23-20(22)25-21)16-14-18-34(30-10-4,31-11-5)32-12-6/h19H,7-18H2,1-6H3,(H2,22,23,24,25)
InChIKeyWOLPJDQSWRQCKN-UHFFFAOYSA-N
MW519.79 g/mol
LogP3.14
Rot. Bonds21

About 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 141380911) has the molecular formula C21H45N5O6Si2 and a molecular weight of 519.79 g/mol. Its IUPAC name is 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID141380911
Molecular FormulaC21H45N5O6Si2
Molecular Weight519.79 g/mol
Exact Mass519.29
IUPAC Name2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1ncnc(N)n1)(OCC)OCC
InChIInChI=1S/C21H45N5O6Si2/c1-7-27-33(28-8-2,29-9-3)17-13-15-26(21-24-19-23-20(22)25-21)16-14-18-34(30-10-4,31-11-5)32-12-6/h19H,7-18H2,1-6H3,(H2,22,23,24,25)
InChIKeyWOLPJDQSWRQCKN-UHFFFAOYSA-N
XLogP3.14
TPSA123.31 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.79
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

n2,n4,n6-Tris(3-(triethoxysilyl)propyl)-1,3,5-triazine-2,4,6-triamine
CID 102416558
2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66863912
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,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 89676622
4-azido-N,N-bis(10-triethoxysilyldodecyl)-1,3,5-triazin-2-amine
CID 89677715
4-azido-N,N-bis(6-triethoxysilylhexyl)-1,3,5-triazin-2-amine
CID 89677741
4-azido-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 89677756
2-N-(methylaminomethyl)-4-N,6-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 123224676
4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 123341827
6-N-(2-aminoethyl)-4-N-(methylaminomethyl)-2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 124012477
4-azido-N-[1,1-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazin-2-amine
CID 140242844

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine (CID 141380911) is 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine is CCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1ncnc(N)n1)(OCC)OCC.
What is the InChIKey of 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is WOLPJDQSWRQCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45N5O6Si2/c1-7-27-33(28-8-2,29-9-3)17-13-15-26(21-24-19-23-20(22)25-21)16-14-18-34(30-10-4,31-11-5)32-12-6/h19H,7-18H2,1-6H3,(H2,22,23,24,25).
What are the key properties of 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 519.79 g/mol, XLogP of 3.14, 21 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141380911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).