3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine

C12H24N2O3Si — CID 57046782

IUPAC3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine
SMILESCO[Si](CCC(CCN)c1ccc[nH]1)(OC)OC
InChIInChI=1S/C12H24N2O3Si/c1-15-18(16-2,17-3)10-7-11(6-8-13)12-5-4-9-14-12/h4-5,9,11,14H,6-8,10,13H2,1-3H3
InChIKeyREYGEDVTFNBJSQ-UHFFFAOYSA-N
MW272.42 g/mol
LogP1.72
Rot. Bonds9

About 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine

3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine (PubChem CID 57046782) has the molecular formula C12H24N2O3Si and a molecular weight of 272.42 g/mol. Its IUPAC name is 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine.

Molecular Properties

Compound Name3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine
PubChem CID57046782
Molecular FormulaC12H24N2O3Si
Molecular Weight272.42 g/mol
Exact Mass272.16
IUPAC Name3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine
SMILESCO[Si](CCC(CCN)c1ccc[nH]1)(OC)OC
InChIInChI=1S/C12H24N2O3Si/c1-15-18(16-2,17-3)10-7-11(6-8-13)12-5-4-9-14-12/h4-5,9,11,14H,6-8,10,13H2,1-3H3
InChIKeyREYGEDVTFNBJSQ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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)-5-trimethoxysilylpentan-1-amine?
The IUPAC name of 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine (CID 57046782) is 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine.
What is the SMILES notation for 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine?
The canonical SMILES for 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine is CO[Si](CCC(CCN)c1ccc[nH]1)(OC)OC.
What is the InChIKey of 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine?
The InChIKey is REYGEDVTFNBJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3Si/c1-15-18(16-2,17-3)10-7-11(6-8-13)12-5-4-9-14-12/h4-5,9,11,14H,6-8,10,13H2,1-3H3.
What are the key properties of 3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine?
3-(1H-pyrrol-2-yl)-5-trimethoxysilylpentan-1-amine has a molecular weight of 272.42 g/mol, XLogP of 1.72, 9 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)-5-trimethoxysilylpentan-1-amine is sourced from PubChem (CID 57046782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).