N-(2-diethoxysilylpropyl)aniline

C13H23NO2Si — CID 154345084

IUPACN-(2-diethoxysilylpropyl)aniline
SMILESCCO[SiH](OCC)C(C)CNc1ccccc1
InChIInChI=1S/C13H23NO2Si/c1-4-15-17(16-5-2)12(3)11-14-13-9-7-6-8-10-13/h6-10,12,14,17H,4-5,11H2,1-3H3
InChIKeyAMNHHDMJIWCWTE-UHFFFAOYSA-N
MW253.42 g/mol
LogP2.78
Rot. Bonds8

About N-(2-diethoxysilylpropyl)aniline

N-(2-diethoxysilylpropyl)aniline (PubChem CID 154345084) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is N-(2-diethoxysilylpropyl)aniline.

Molecular Properties

Compound NameN-(2-diethoxysilylpropyl)aniline
PubChem CID154345084
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC NameN-(2-diethoxysilylpropyl)aniline
SMILESCCO[SiH](OCC)C(C)CNc1ccccc1
InChIInChI=1S/C13H23NO2Si/c1-4-15-17(16-5-2)12(3)11-14-13-9-7-6-8-10-13/h6-10,12,14,17H,4-5,11H2,1-3H3
InChIKeyAMNHHDMJIWCWTE-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromopropyl)aniline
CID 13183607
N-(2-propoxypropyl)aniline
CID 62585259
2-N-(2-ethoxyethyl)-2-N-methyl-1-N-phenylpropane-1,2-diamine
CID 81068786
N-(2-methylsulfanylpropyl)aniline
CID 62582287
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
1-anilino-2-methylpentan-3-ol
CID 69294698
N-[2-(2-methoxyethylsulfanyl)propyl]aniline
CID 62577596
ethyl N-(2-diethoxysilylpropyl)carbamate
CID 154255932
1-N,4-N-bis(3-diethoxysilylpentyl)benzene-1,4-diamine
CID 154210482
2-N-butan-2-yl-2-N-ethyl-1-N-phenylpropane-1,2-diamine
CID 62569514
2-methyl-N-phenyl-N'-propan-2-ylpropane-1,3-diamine
CID 22075486
1-N,1-N,1-N',1-N'-tetraethyl-2-N-phenylethane-1,1,2-triamine
CID 67748631

Frequently Asked Questions

What is the IUPAC name of N-(2-diethoxysilylpropyl)aniline?
The IUPAC name of N-(2-diethoxysilylpropyl)aniline (CID 154345084) is N-(2-diethoxysilylpropyl)aniline.
What is the SMILES notation for N-(2-diethoxysilylpropyl)aniline?
The canonical SMILES for N-(2-diethoxysilylpropyl)aniline is CCO[SiH](OCC)C(C)CNc1ccccc1.
What is the InChIKey of N-(2-diethoxysilylpropyl)aniline?
The InChIKey is AMNHHDMJIWCWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-4-15-17(16-5-2)12(3)11-14-13-9-7-6-8-10-13/h6-10,12,14,17H,4-5,11H2,1-3H3.
What are the key properties of N-(2-diethoxysilylpropyl)aniline?
N-(2-diethoxysilylpropyl)aniline has a molecular weight of 253.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-diethoxysilylpropyl)aniline is sourced from PubChem (CID 154345084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).