N-(triethoxysilylmethyl)aniline

C13H23NO3Si — CID 11219420

IUPACN-(triethoxysilylmethyl)aniline
SMILESCCO[Si](CNc1ccccc1)(OCC)OCC
InChIInChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
InChIKeyKOVKEDGZABFDPF-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.69
Rot. Bonds9

About N-(triethoxysilylmethyl)aniline

N-(triethoxysilylmethyl)aniline (PubChem CID 11219420) has the molecular formula C13H23NO3Si and a molecular weight of 269.42 g/mol. Its IUPAC name is N-(triethoxysilylmethyl)aniline.

Molecular Properties

Compound NameN-(triethoxysilylmethyl)aniline
PubChem CID11219420
Molecular FormulaC13H23NO3Si
Molecular Weight269.42 g/mol
Exact Mass269.14
IUPAC NameN-(triethoxysilylmethyl)aniline
SMILESCCO[Si](CNc1ccccc1)(OCC)OCC
InChIInChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3
InChIKeyKOVKEDGZABFDPF-UHFFFAOYSA-N
XLogP2.69
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(triethoxysilylmethyl)aniline?
The IUPAC name of N-(triethoxysilylmethyl)aniline (CID 11219420) is N-(triethoxysilylmethyl)aniline.
What is the SMILES notation for N-(triethoxysilylmethyl)aniline?
The canonical SMILES for N-(triethoxysilylmethyl)aniline is CCO[Si](CNc1ccccc1)(OCC)OCC.
What is the InChIKey of N-(triethoxysilylmethyl)aniline?
The InChIKey is KOVKEDGZABFDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3Si/c1-4-15-18(16-5-2,17-6-3)12-14-13-10-8-7-9-11-13/h7-11,14H,4-6,12H2,1-3H3.
What are the key properties of N-(triethoxysilylmethyl)aniline?
N-(triethoxysilylmethyl)aniline has a molecular weight of 269.42 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(triethoxysilylmethyl)aniline is sourced from PubChem (CID 11219420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).