4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline

C18H33NO6Si2 — CID 66815318

IUPAC4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
SMILESC=Cc1ccc(N(CC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C18H33NO6Si2/c1-8-17-9-11-18(12-10-17)19(13-15-26(20-2,21-3)22-4)14-16-27(23-5,24-6)25-7/h8-12H,1,13-16H2,2-7H3
InChIKeyOQAOTKJWJRQUBW-UHFFFAOYSA-N
MW415.64 g/mol
LogP2.89
Rot. Bonds14

About 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline

4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline (PubChem CID 66815318) has the molecular formula C18H33NO6Si2 and a molecular weight of 415.64 g/mol. Its IUPAC name is 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline.

Molecular Properties

Compound Name4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
PubChem CID66815318
Molecular FormulaC18H33NO6Si2
Molecular Weight415.64 g/mol
Exact Mass415.18
IUPAC Name4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline
SMILESC=Cc1ccc(N(CC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC)cc1
InChIInChI=1S/C18H33NO6Si2/c1-8-17-9-11-18(12-10-17)19(13-15-26(20-2,21-3)22-4)14-16-27(23-5,24-6)25-7/h8-12H,1,13-16H2,2-7H3
InChIKeyOQAOTKJWJRQUBW-UHFFFAOYSA-N
XLogP2.89
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.64
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-N,N-bis(2-triethoxysilylethyl)aniline
CID 23067785
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CID 69382190
4-ethenyl-N,N-diethylaniline;hydrochloride
CID 67541310
4-ethenyl-N-ethyl-N-propylaniline
CID 89377389
4-(dibutylamino)benzaldehyde;N,N-dibutyl-4-ethenylaniline
CID 158914965
(4-ethenylphenyl)methoxy-ethyl-dimethoxysilane
CID 154075115
(4-ethenylphenyl)methoxy-dimethoxy-methylsilane
CID 154075116
N'-[2-(4-ethenylphenyl)ethyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 151323239
2-[(4-ethenylphenyl)methylamino]ethyl-(3-trimethoxysilylpropyl)azanium
CID 101069366
4-(4-ethenylphenyl)butyl-methoxy-dimethylsilane
CID 139921336
N-(4-ethenylphenyl)-4-methoxy-N-(4-methoxy-3-methylphenyl)-3-methylaniline
CID 69462200
4-[1-[4-(diethylamino)phenyl]-2-(4-ethenylphenyl)-2-phenylethenyl]-N,N-diethylaniline
CID 141404078

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline?
The IUPAC name of 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline (CID 66815318) is 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline.
What is the SMILES notation for 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline?
The canonical SMILES for 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline is C=Cc1ccc(N(CC[Si](OC)(OC)OC)CC[Si](OC)(OC)OC)cc1.
What is the InChIKey of 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline?
The InChIKey is OQAOTKJWJRQUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO6Si2/c1-8-17-9-11-18(12-10-17)19(13-15-26(20-2,21-3)22-4)14-16-27(23-5,24-6)25-7/h8-12H,1,13-16H2,2-7H3.
What are the key properties of 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline?
4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline has a molecular weight of 415.64 g/mol, XLogP of 2.89, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,N-bis(2-trimethoxysilylethyl)aniline is sourced from PubChem (CID 66815318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).