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

C15H30N2O3Si — CID 57314738

IUPAC2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine
SMILESCCO[Si](CCCc1cccn1CCN)(OCC)OCC
InChIInChI=1S/C15H30N2O3Si/c1-4-18-21(19-5-2,20-6-3)14-8-10-15-9-7-12-17(15)13-11-16/h7,9,12H,4-6,8,10-11,13-14,16H2,1-3H3
InChIKeyGJJUBJKCFSHWOT-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.43
Rot. Bonds12

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

2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine (PubChem CID 57314738) has the molecular formula C15H30N2O3Si and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine
PubChem CID57314738
Molecular FormulaC15H30N2O3Si
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine
SMILESCCO[Si](CCCc1cccn1CCN)(OCC)OCC
InChIInChI=1S/C15H30N2O3Si/c1-4-18-21(19-5-2,20-6-3)14-8-10-15-9-7-12-17(15)13-11-16/h7,9,12H,4-6,8,10-11,13-14,16H2,1-3H3
InChIKeyGJJUBJKCFSHWOT-UHFFFAOYSA-N
XLogP2.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)pyrrol-1-yl]ethanamine?
The IUPAC name of 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine (CID 57314738) is 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine is CCO[Si](CCCc1cccn1CCN)(OCC)OCC.
What is the InChIKey of 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine?
The InChIKey is GJJUBJKCFSHWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3Si/c1-4-18-21(19-5-2,20-6-3)14-8-10-15-9-7-12-17(15)13-11-16/h7,9,12H,4-6,8,10-11,13-14,16H2,1-3H3.
What are the key properties of 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine?
2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine has a molecular weight of 314.50 g/mol, XLogP of 2.43, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-triethoxysilylpropyl)pyrrol-1-yl]ethanamine is sourced from PubChem (CID 57314738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).