1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine

C17H29NO4Si — CID 67729195

IUPAC1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
SMILESCCO[Si](CCC/N=C/c1ccc(OC)cc1)(OCC)OCC
InChIInChI=1S/C17H29NO4Si/c1-5-20-23(21-6-2,22-7-3)14-8-13-18-15-16-9-11-17(19-4)12-10-16/h9-12,15H,5-8,13-14H2,1-4H3/b18-15+
InChIKeyLBXLMTQHTSMKNT-OBGWFSINSA-N
MW339.51 g/mol
LogP3.55
Rot. Bonds12

About 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine

1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine (PubChem CID 67729195) has the molecular formula C17H29NO4Si and a molecular weight of 339.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
PubChem CID67729195
Molecular FormulaC17H29NO4Si
Molecular Weight339.51 g/mol
Exact Mass339.19
IUPAC Name1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine
SMILESCCO[Si](CCC/N=C/c1ccc(OC)cc1)(OCC)OCC
InChIInChI=1S/C17H29NO4Si/c1-5-20-23(21-6-2,22-7-3)14-8-13-18-15-16-9-11-17(19-4)12-10-16/h9-12,15H,5-8,13-14H2,1-4H3/b18-15+
InChIKeyLBXLMTQHTSMKNT-OBGWFSINSA-N
XLogP3.55
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

N-(3-triethoxysilylpropyl)-1-[4-(3-triethoxysilylpropyliminomethyl)phenyl]methanimine
CID 22247245
1-(4-ethenylphenyl)-N-(3-triethoxysilylpropyl)methanimine
CID 71347976
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
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-ethyl-1-(4-methoxyphenyl)methanimine
CID 12927006
(2E)-2-[(4-methoxyphenyl)methylidene]-10-triethoxysilyldecanoic acid
CID 142687822
N-[3-[diethoxy(methyl)silyl]propyl]-1-phenylmethanimine;N-methylmethanamine
CID 22491514
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008
1-(4-methoxyphenyl)-N-prop-2-enylmethanimine
CID 11052170
1-(4-methoxyphenyl)-N-triethylsilylmethanimine
CID 122380757
triethoxy-[(4-methoxyphenoxy)methyl]silane
CID 71395637
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine (CID 67729195) is 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine is CCO[Si](CCC/N=C/c1ccc(OC)cc1)(OCC)OCC.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine?
The InChIKey is LBXLMTQHTSMKNT-OBGWFSINSA-N. The full InChI is InChI=1S/C17H29NO4Si/c1-5-20-23(21-6-2,22-7-3)14-8-13-18-15-16-9-11-17(19-4)12-10-16/h9-12,15H,5-8,13-14H2,1-4H3/b18-15+.
What are the key properties of 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine?
1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine has a molecular weight of 339.51 g/mol, XLogP of 3.55, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-triethoxysilylpropyl)methanimine is sourced from PubChem (CID 67729195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).