2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine

C15H30N2O3Si — CID 57071796

IUPAC2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine
SMILESCCO[Si](CCCc1[nH]ccc1CCN)(OCC)OCC
InChIInChI=1S/C15H30N2O3Si/c1-4-18-21(19-5-2,20-6-3)13-7-8-15-14(9-11-16)10-12-17-15/h10,12,17H,4-9,11,13,16H2,1-3H3
InChIKeyXQIWPPCAYYMUPP-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.50
Rot. Bonds12

About 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine

2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine (PubChem CID 57071796) has the molecular formula C15H30N2O3Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine
PubChem CID57071796
Molecular FormulaC15H30N2O3Si
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine
SMILESCCO[Si](CCCc1[nH]ccc1CCN)(OCC)OCC
InChIInChI=1S/C15H30N2O3Si/c1-4-18-21(19-5-2,20-6-3)13-7-8-15-14(9-11-16)10-12-17-15/h10,12,17H,4-9,11,13,16H2,1-3H3
InChIKeyXQIWPPCAYYMUPP-UHFFFAOYSA-N
XLogP2.50
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
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 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine (CID 57071796) is 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine is CCO[Si](CCCc1[nH]ccc1CCN)(OCC)OCC.
What is the InChIKey of 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
The InChIKey is XQIWPPCAYYMUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3Si/c1-4-18-21(19-5-2,20-6-3)13-7-8-15-14(9-11-16)10-12-17-15/h10,12,17H,4-9,11,13,16H2,1-3H3.
What are the key properties of 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine has a molecular weight of 314.50 g/mol, XLogP of 2.50, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-triethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 57071796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).