N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

C21H44N4O6Si2 — CID 141380903

IUPACN,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1ncncn1)(OCC)OCC
InChIInChI=1S/C21H44N4O6Si2/c1-7-26-32(27-8-2,28-9-3)17-13-15-25(21-23-19-22-20-24-21)16-14-18-33(29-10-4,30-11-5)31-12-6/h19-20H,7-18H2,1-6H3
InChIKeyGCTPYSVWVSXJGC-UHFFFAOYSA-N
MW504.78 g/mol
LogP3.56
Rot. Bonds21

About N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine

N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (PubChem CID 141380903) has the molecular formula C21H44N4O6Si2 and a molecular weight of 504.78 g/mol. Its IUPAC name is N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
PubChem CID141380903
Molecular FormulaC21H44N4O6Si2
Molecular Weight504.78 g/mol
Exact Mass504.28
IUPAC NameN,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
SMILESCCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1ncncn1)(OCC)OCC
InChIInChI=1S/C21H44N4O6Si2/c1-7-26-32(27-8-2,28-9-3)17-13-15-25(21-23-19-22-20-24-21)16-14-18-33(29-10-4,30-11-5)31-12-6/h19-20H,7-18H2,1-6H3
InChIKeyGCTPYSVWVSXJGC-UHFFFAOYSA-N
XLogP3.56
TPSA97.29 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.78
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-N,2-N,4-N-tris(3-triethoxysilylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 66863912
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
4,6-dichloro-N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 123341827
N,N-bis(1-triethoxysilylhexyl)-1,3,5-triazin-2-amine
CID 140242846
4-azido-N-[1,1-bis(triethoxysilyl)propyl]-1,3,5-triazin-2-amine
CID 140242847
4,6-diazido-N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 140611645
N,N-bis(1-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 141319390
2-N-[3,3-bis[tri(propan-2-yloxy)silyl]propyl]-1,3,5-triazine-2,4-diamine
CID 141380909
2-N,2-N-bis(3-triethoxysilylpropyl)-1,3,5-triazine-2,4-diamine
CID 141380911

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine (CID 141380903) is N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is CCO[Si](CCCN(CCC[Si](OCC)(OCC)OCC)c1ncncn1)(OCC)OCC.
What is the InChIKey of N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is GCTPYSVWVSXJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4O6Si2/c1-7-26-32(27-8-2,28-9-3)17-13-15-25(21-23-19-22-20-24-21)16-14-18-33(29-10-4,30-11-5)31-12-6/h19-20H,7-18H2,1-6H3.
What are the key properties of N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine?
N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 504.78 g/mol, XLogP of 3.56, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 141380903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).