4-(3,3-diethoxy-3-silylpropyl)aniline

C13H23NO2Si — CID 173240002

IUPAC4-(3,3-diethoxy-3-silylpropyl)aniline
SMILESCCOC([SiH3])(CCc1ccc(N)cc1)OCC
InChIInChI=1S/C13H23NO2Si/c1-3-15-13(17,16-4-2)10-9-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2,17H3
InChIKeyJXMAFPALOOMORS-UHFFFAOYSA-N
MW253.42 g/mol
LogP1.29
Rot. Bonds7

About 4-(3,3-diethoxy-3-silylpropyl)aniline

4-(3,3-diethoxy-3-silylpropyl)aniline (PubChem CID 173240002) has the molecular formula C13H23NO2Si and a molecular weight of 253.42 g/mol. Its IUPAC name is 4-(3,3-diethoxy-3-silylpropyl)aniline.

Molecular Properties

Compound Name4-(3,3-diethoxy-3-silylpropyl)aniline
PubChem CID173240002
Molecular FormulaC13H23NO2Si
Molecular Weight253.42 g/mol
Exact Mass253.15
IUPAC Name4-(3,3-diethoxy-3-silylpropyl)aniline
SMILESCCOC([SiH3])(CCc1ccc(N)cc1)OCC
InChIInChI=1S/C13H23NO2Si/c1-3-15-13(17,16-4-2)10-9-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2,17H3
InChIKeyJXMAFPALOOMORS-UHFFFAOYSA-N
XLogP1.29
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxy-3-silylpropyl)aniline?
The IUPAC name of 4-(3,3-diethoxy-3-silylpropyl)aniline (CID 173240002) is 4-(3,3-diethoxy-3-silylpropyl)aniline.
What is the SMILES notation for 4-(3,3-diethoxy-3-silylpropyl)aniline?
The canonical SMILES for 4-(3,3-diethoxy-3-silylpropyl)aniline is CCOC([SiH3])(CCc1ccc(N)cc1)OCC.
What is the InChIKey of 4-(3,3-diethoxy-3-silylpropyl)aniline?
The InChIKey is JXMAFPALOOMORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2Si/c1-3-15-13(17,16-4-2)10-9-11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2,17H3.
What are the key properties of 4-(3,3-diethoxy-3-silylpropyl)aniline?
4-(3,3-diethoxy-3-silylpropyl)aniline has a molecular weight of 253.42 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxy-3-silylpropyl)aniline is sourced from PubChem (CID 173240002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).