N-[diethoxy(2-methylpropyl)silyl]aniline

C14H25NO2Si — CID 139792161

IUPACN-[diethoxy(2-methylpropyl)silyl]aniline
SMILESCCO[Si](CC(C)C)(Nc1ccccc1)OCC
InChIInChI=1S/C14H25NO2Si/c1-5-16-18(17-6-2,12-13(3)4)15-14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyIBBKZXHHUNBNRZ-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.77
Rot. Bonds8

About N-[diethoxy(2-methylpropyl)silyl]aniline

N-[diethoxy(2-methylpropyl)silyl]aniline (PubChem CID 139792161) has the molecular formula C14H25NO2Si and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[diethoxy(2-methylpropyl)silyl]aniline.

Molecular Properties

Compound NameN-[diethoxy(2-methylpropyl)silyl]aniline
PubChem CID139792161
Molecular FormulaC14H25NO2Si
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-[diethoxy(2-methylpropyl)silyl]aniline
SMILESCCO[Si](CC(C)C)(Nc1ccccc1)OCC
InChIInChI=1S/C14H25NO2Si/c1-5-16-18(17-6-2,12-13(3)4)15-14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3
InChIKeyIBBKZXHHUNBNRZ-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[diethoxy(2-methylpropyl)silyl]aniline?
The IUPAC name of N-[diethoxy(2-methylpropyl)silyl]aniline (CID 139792161) is N-[diethoxy(2-methylpropyl)silyl]aniline.
What is the SMILES notation for N-[diethoxy(2-methylpropyl)silyl]aniline?
The canonical SMILES for N-[diethoxy(2-methylpropyl)silyl]aniline is CCO[Si](CC(C)C)(Nc1ccccc1)OCC.
What is the InChIKey of N-[diethoxy(2-methylpropyl)silyl]aniline?
The InChIKey is IBBKZXHHUNBNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2Si/c1-5-16-18(17-6-2,12-13(3)4)15-14-10-8-7-9-11-14/h7-11,13,15H,5-6,12H2,1-4H3.
What are the key properties of N-[diethoxy(2-methylpropyl)silyl]aniline?
N-[diethoxy(2-methylpropyl)silyl]aniline has a molecular weight of 267.44 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxy(2-methylpropyl)silyl]aniline is sourced from PubChem (CID 139792161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).