3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine

C13H26N2O3Si — CID 67388540

IUPAC3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CCN)c1ccc[nH]1
InChIInChI=1S/C13H26N2O3Si/c1-4-16-19(17-5-2,18-6-3)13(9-10-14)12-8-7-11-15-12/h7-8,11,13,15H,4-6,9-10,14H2,1-3H3
InChIKeyDOMHTKKGNLFQFD-UHFFFAOYSA-N
MW286.45 g/mol
LogP2.03
Rot. Bonds10

About 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine

3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine (PubChem CID 67388540) has the molecular formula C13H26N2O3Si and a molecular weight of 286.45 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine
PubChem CID67388540
Molecular FormulaC13H26N2O3Si
Molecular Weight286.45 g/mol
Exact Mass286.17
IUPAC Name3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine
SMILESCCO[Si](OCC)(OCC)C(CCN)c1ccc[nH]1
InChIInChI=1S/C13H26N2O3Si/c1-4-16-19(17-5-2,18-6-3)13(9-10-14)12-8-7-11-15-12/h7-8,11,13,15H,4-6,9-10,14H2,1-3H3
InChIKeyDOMHTKKGNLFQFD-UHFFFAOYSA-N
XLogP2.03
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.45
LogP ≤ 52.03
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 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine?
The IUPAC name of 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine (CID 67388540) is 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine is CCO[Si](OCC)(OCC)C(CCN)c1ccc[nH]1.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine?
The InChIKey is DOMHTKKGNLFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3Si/c1-4-16-19(17-5-2,18-6-3)13(9-10-14)12-8-7-11-15-12/h7-8,11,13,15H,4-6,9-10,14H2,1-3H3.
What are the key properties of 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine?
3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine has a molecular weight of 286.45 g/mol, XLogP of 2.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-2-yl)-3-triethoxysilylpropan-1-amine is sourced from PubChem (CID 67388540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).