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

C12H24N2O3Si — CID 57022153

IUPAC2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine
SMILESCO[Si](CCCc1[nH]ccc1CCN)(OC)OC
InChIInChI=1S/C12H24N2O3Si/c1-15-18(16-2,17-3)10-4-5-12-11(6-8-13)7-9-14-12/h7,9,14H,4-6,8,10,13H2,1-3H3
InChIKeyMHTGFTVQCNYGLQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.33
Rot. Bonds9

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

2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine (PubChem CID 57022153) has the molecular formula C12H24N2O3Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine
PubChem CID57022153
Molecular FormulaC12H24N2O3Si
Molecular Weight272.42 g/mol
Exact Mass272.16
IUPAC Name2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine
SMILESCO[Si](CCCc1[nH]ccc1CCN)(OC)OC
InChIInChI=1S/C12H24N2O3Si/c1-15-18(16-2,17-3)10-4-5-12-11(6-8-13)7-9-14-12/h7,9,14H,4-6,8,10,13H2,1-3H3
InChIKeyMHTGFTVQCNYGLQ-UHFFFAOYSA-N
XLogP1.33
TPSA69.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 51.33
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-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine (CID 57022153) is 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine is CO[Si](CCCc1[nH]ccc1CCN)(OC)OC.
What is the InChIKey of 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
The InChIKey is MHTGFTVQCNYGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3Si/c1-15-18(16-2,17-3)10-4-5-12-11(6-8-13)7-9-14-12/h7,9,14H,4-6,8,10,13H2,1-3H3.
What are the key properties of 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine?
2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine has a molecular weight of 272.42 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-trimethoxysilylpropyl)-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 57022153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).