N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine

C26H48N2O6Si2 — CID 22247245

IUPACN-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
SMILESCCO[Si](CCC/N=C/c1ccc(/C=N/CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC
InChIInChI=1S/C26H48N2O6Si2/c1-7-29-35(30-8-2,31-9-3)21-13-19-27-23-25-15-17-26(18-16-25)24-28-20-14-22-36(32-10-4,33-11-5)34-12-6/h15-18,23-24H,7-14,19-22H2,1-6H3/b27-23+,28-24+
InChIKeyISEQPCJEDJEDHD-LMCGJEQXSA-N
MW540.85 g/mol
LogP5.40
Rot. Bonds22

About N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine

N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine (PubChem CID 22247245) has the molecular formula C26H48N2O6Si2 and a molecular weight of 540.85 g/mol. Its IUPAC name is N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
PubChem CID22247245
Molecular FormulaC26H48N2O6Si2
Molecular Weight540.85 g/mol
Exact Mass540.31
IUPAC NameN-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
SMILESCCO[Si](CCC/N=C/c1ccc(/C=N/CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC
InChIInChI=1S/C26H48N2O6Si2/c1-7-29-35(30-8-2,31-9-3)21-13-19-27-23-25-15-17-26(18-16-25)24-28-20-14-22-36(32-10-4,33-11-5)34-12-6/h15-18,23-24H,7-14,19-22H2,1-6H3/b27-23+,28-24+
InChIKeyISEQPCJEDJEDHD-LMCGJEQXSA-N
XLogP5.40
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.85
LogP ≤ 55.40
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'}

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Related Compounds

1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 67729195
N-[3-[diethoxy(methyl)silyl]propyl]-1-phenylmethanimine;N-methylmethanamine
CID 22491514
1-[4-[3-[dimethoxy(methyl)silyl]propyliminomethyl]phenyl]-N-[3-[methoxy(dimethyl)silyl]propyl]methanimine;N-[3-[methoxy(dimethyl)silyl]propyl]-1-[4-(3-trimethoxysilylpropyliminomethyl)phenyl]methanimine
CID 157340168
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
5-(3-triethoxysilylpropyliminomethyl)quinolin-8-ol
CID 136818505
chromium(3+);2-[3-[diethoxy(methyl)silyl]propyliminomethyl]phenol;2-(3-triethoxysilylpropyliminomethyl)phenol;triacetate
CID 158818578
N,N'-bis(3-triethoxysilylpropyl)methanediimine
CID 11339909
6-[[4-(6-aminohexyliminomethyl)phenyl]methylideneamino]hexan-1-amine
CID 59344399
4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
CID 162517855
2-[3-[ethoxy(dihydroxy)silyl]propyliminomethyl]phenol
CID 139211804
triethoxy(10-triethoxysilyldecyl)silane
CID 14439044

Frequently Asked Questions

What is the IUPAC name of N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine?
The IUPAC name of N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine (CID 22247245) is N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine.
What is the SMILES notation for N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine?
The canonical SMILES for N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine is CCO[Si](CCC/N=C/c1ccc(/C=N/CCC[Si](OCC)(OCC)OCC)cc1)(OCC)OCC.
What is the InChIKey of N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine?
The InChIKey is ISEQPCJEDJEDHD-LMCGJEQXSA-N. The full InChI is InChI=1S/C26H48N2O6Si2/c1-7-29-35(30-8-2,31-9-3)21-13-19-27-23-25-15-17-26(18-16-25)24-28-20-14-22-36(32-10-4,33-11-5)34-12-6/h15-18,23-24H,7-14,19-22H2,1-6H3/b27-23+,28-24+.
What are the key properties of N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine?
N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine has a molecular weight of 540.85 g/mol, XLogP of 5.40, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine is sourced from PubChem (CID 22247245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).