1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine

C21H30N2O4Si — CID 102598751

IUPAC1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
SMILESCCO[Si](CCCOc1ccc(/N=C/c2ccccn2)cc1)(OCC)OCC
InChIInChI=1S/C21H30N2O4Si/c1-4-25-28(26-5-2,27-6-3)17-9-16-24-21-13-11-19(12-14-21)23-18-20-10-7-8-15-22-20/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3/b23-18+
InChIKeyQNDAQELOYHFXEC-PTGBLXJZSA-N
MW402.57 g/mol
LogP4.65
Rot. Bonds13

About 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine

1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine (PubChem CID 102598751) has the molecular formula C21H30N2O4Si and a molecular weight of 402.57 g/mol. Its IUPAC name is 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine.

Molecular Properties

Compound Name1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
PubChem CID102598751
Molecular FormulaC21H30N2O4Si
Molecular Weight402.57 g/mol
Exact Mass402.20
IUPAC Name1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine
SMILESCCO[Si](CCCOc1ccc(/N=C/c2ccccn2)cc1)(OCC)OCC
InChIInChI=1S/C21H30N2O4Si/c1-4-25-28(26-5-2,27-6-3)17-9-16-24-21-13-11-19(12-14-21)23-18-20-10-7-8-15-22-20/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3/b23-18+
InChIKeyQNDAQELOYHFXEC-PTGBLXJZSA-N
XLogP4.65
TPSA62.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.57
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

[4-(pyridin-2-ylmethylideneamino)phenyl] 4-hexadecoxybenzoate
CID 132513102
4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenol
CID 137240522
1-(5-butoxy-2-pyridinyl)-N-(4-ethoxyphenyl)methanimine
CID 71335504
triethoxy(5-phenoxypentyl)silane
CID 69261827
sodium triphenyl-[4-(3-triethoxysilylpropoxy)phenyl]boranuide
CID 139829561
N,N-dimethyl-4-(pyridin-2-ylmethylideneamino)aniline
CID 20740795
4-triethoxysilyl-N-[4-(4-triethoxysilylbutylideneamino)phenyl]butan-1-imine
CID 162517855
3-triethoxysilylpropyl pyridine-2-carboxylate
CID 68836141
diphenyl-[(4-triethoxysilylphenyl)methyl]-[4-[[4-(3-triethoxysilylpropoxy)phenyl]diazenyl]phenyl]phosphanium
CID 102511384
1-(4-ethoxyphenyl)-N-(4-pentoxyphenyl)methanimine
CID 71354191
6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one
CID 155813745
N-(4-hexoxyphenyl)-1-[4-[(4-hexoxyphenyl)iminomethyl]phenyl]methanimine
CID 101374448

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine?
The IUPAC name of 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine (CID 102598751) is 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine.
What is the SMILES notation for 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine?
The canonical SMILES for 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine is CCO[Si](CCCOc1ccc(/N=C/c2ccccn2)cc1)(OCC)OCC.
What is the InChIKey of 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine?
The InChIKey is QNDAQELOYHFXEC-PTGBLXJZSA-N. The full InChI is InChI=1S/C21H30N2O4Si/c1-4-25-28(26-5-2,27-6-3)17-9-16-24-21-13-11-19(12-14-21)23-18-20-10-7-8-15-22-20/h7-8,10-15,18H,4-6,9,16-17H2,1-3H3/b23-18+.
What are the key properties of 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine?
1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine has a molecular weight of 402.57 g/mol, XLogP of 4.65, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-N-[4-(3-triethoxysilylpropoxy)phenyl]methanimine is sourced from PubChem (CID 102598751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).