N,N'-bis(3-triethoxysilylpropyl)methanediimine

C19H42N2O6Si2 — CID 11339909

IUPACN,N'-bis(3-triethoxysilylpropyl)methanediimine
SMILESCCO[Si](CCCN=C=NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C19H42N2O6Si2/c1-7-22-28(23-8-2,24-9-3)17-13-15-20-19-21-16-14-18-29(25-10-4,26-11-5)27-12-6/h7-18H2,1-6H3
InChIKeyBAESHILMXXYHGC-UHFFFAOYSA-N
MW450.73 g/mol
LogP4.04
Rot. Bonds20

About N,N'-bis(3-triethoxysilylpropyl)methanediimine

N,N'-bis(3-triethoxysilylpropyl)methanediimine (PubChem CID 11339909) has the molecular formula C19H42N2O6Si2 and a molecular weight of 450.73 g/mol. Its IUPAC name is N,N'-bis(3-triethoxysilylpropyl)methanediimine.

Molecular Properties

Compound NameN,N'-bis(3-triethoxysilylpropyl)methanediimine
PubChem CID11339909
Molecular FormulaC19H42N2O6Si2
Molecular Weight450.73 g/mol
Exact Mass450.26
IUPAC NameN,N'-bis(3-triethoxysilylpropyl)methanediimine
SMILESCCO[Si](CCCN=C=NCCC[Si](OCC)(OCC)OCC)(OCC)OCC
InChIInChI=1S/C19H42N2O6Si2/c1-7-22-28(23-8-2,24-9-3)17-13-15-20-19-21-16-14-18-29(25-10-4,26-11-5)27-12-6/h7-18H2,1-6H3
InChIKeyBAESHILMXXYHGC-UHFFFAOYSA-N
XLogP4.04
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.73
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N'-bis(3-triethoxysilylpropyl)methanediimine 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

acetonitrile;triethoxy(3-isocyanatopropyl)silane
CID 158725312
triethoxy(38-isocyanatooctatriacontyl)silane
CID 87685744
triethoxy(30-isocyanatotriacontyl)silane
CID 87683947
triethoxy(33-isocyanatotritriacontyl)silane
CID 87684827
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044
[diethoxy(3-isocyanatopropyl)silyl] triethyl silicate
CID 87101175
hydroxy-trimethyl-(3-triethoxysilylpropyl)-λ5-phosphane
CID 170925313
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
dodecyl(triethoxy)silane;tridecane
CID 174970002
triethoxy-[3-(3-triethoxysilylpropoxy)propyl]silane
CID 22616805
triethoxy(henicosyl)silane
CID 141362894
triethoxy(pentyl)silane;hydrofluoride
CID 174582602

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(3-triethoxysilylpropyl)methanediimine?
The IUPAC name of N,N'-bis(3-triethoxysilylpropyl)methanediimine (CID 11339909) is N,N'-bis(3-triethoxysilylpropyl)methanediimine.
What is the SMILES notation for N,N'-bis(3-triethoxysilylpropyl)methanediimine?
The canonical SMILES for N,N'-bis(3-triethoxysilylpropyl)methanediimine is CCO[Si](CCCN=C=NCCC[Si](OCC)(OCC)OCC)(OCC)OCC.
What is the InChIKey of N,N'-bis(3-triethoxysilylpropyl)methanediimine?
The InChIKey is BAESHILMXXYHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2O6Si2/c1-7-22-28(23-8-2,24-9-3)17-13-15-20-19-21-16-14-18-29(25-10-4,26-11-5)27-12-6/h7-18H2,1-6H3.
What are the key properties of N,N'-bis(3-triethoxysilylpropyl)methanediimine?
N,N'-bis(3-triethoxysilylpropyl)methanediimine has a molecular weight of 450.73 g/mol, XLogP of 4.04, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(3-triethoxysilylpropyl)methanediimine is sourced from PubChem (CID 11339909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).