2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine

C15H25N3OSi — CID 171106231

IUPAC2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESC[Si](C)(C)CCOCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H25N3OSi/c1-20(2,3)10-9-19-12-18-11-13(6-7-16)14-5-4-8-17-15(14)18/h4-5,8,11H,6-7,9-10,12,16H2,1-3H3
InChIKeyVUALRDURNPQKQX-UHFFFAOYSA-N
MW291.47 g/mol
LogP2.85
Rot. Bonds7

About 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine

2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine (PubChem CID 171106231) has the molecular formula C15H25N3OSi and a molecular weight of 291.47 g/mol. Its IUPAC name is 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
PubChem CID171106231
Molecular FormulaC15H25N3OSi
Molecular Weight291.47 g/mol
Exact Mass291.18
IUPAC Name2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
SMILESC[Si](C)(C)CCOCn1cc(CCN)c2cccnc21
InChIInChI=1S/C15H25N3OSi/c1-20(2,3)10-9-19-12-18-11-13(6-7-16)14-5-4-8-17-15(14)18/h4-5,8,11H,6-7,9-10,12,16H2,1-3H3
InChIKeyVUALRDURNPQKQX-UHFFFAOYSA-N
XLogP2.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-butoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413024
2-[1-[(4-methylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66413022
2-[1-[2-(trifluoromethoxy)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 66412425
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103015076
2-(1-hexylpyrrolo[2,3-b]pyridin-3-yl)ethanamine
CID 66411058
2-[(2-chloro-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 174596817
2-[1-(4,4,4-trifluorobutyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 115518332
[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]methanamine
CID 66414725
2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 103049943
5-[3-(2-aminoethyl)pyrrolo[2,3-b]pyridin-1-yl]-2,2-dimethylpentanenitrile
CID 66412628
2-[1-[(5-bromo-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]ethanamine
CID 104811080

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine (CID 171106231) is 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine is C[Si](C)(C)CCOCn1cc(CCN)c2cccnc21.
What is the InChIKey of 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
The InChIKey is VUALRDURNPQKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OSi/c1-20(2,3)10-9-19-12-18-11-13(6-7-16)14-5-4-8-17-15(14)18/h4-5,8,11H,6-7,9-10,12,16H2,1-3H3.
What are the key properties of 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine?
2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine has a molecular weight of 291.47 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]ethanamine is sourced from PubChem (CID 171106231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).