2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine

C12H24N2O2Si — CID 57015300

IUPAC2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine
SMILESCO[Si](C)(CCCc1cccn1CCN)OC
InChIInChI=1S/C12H24N2O2Si/c1-15-17(3,16-2)11-5-7-12-6-4-9-14(12)10-8-13/h4,6,9H,5,7-8,10-11,13H2,1-3H3
InChIKeyUKXNCNTVXNQPIN-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.74
Rot. Bonds8

About 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine

2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine (PubChem CID 57015300) has the molecular formula C12H24N2O2Si and a molecular weight of 256.42 g/mol. Its IUPAC name is 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine
PubChem CID57015300
Molecular FormulaC12H24N2O2Si
Molecular Weight256.42 g/mol
Exact Mass256.16
IUPAC Name2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine
SMILESCO[Si](C)(CCCc1cccn1CCN)OC
InChIInChI=1S/C12H24N2O2Si/c1-15-17(3,16-2)11-5-7-12-6-4-9-14(12)10-8-13/h4,6,9H,5,7-8,10-11,13H2,1-3H3
InChIKeyUKXNCNTVXNQPIN-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methoxyethyl)pyrrol-2-yl]ethanamine
CID 66406663
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
CID 104649672
diethoxy-[3-(1-ethylpyrrol-2-yl)propyl]-methylsilane
CID 91419516
3-[1-(2-pyridin-4-ylethyl)pyrrol-2-yl]propan-1-amine
CID 170868133
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
2-[1-(3,3-difluorobutyl)pyrrol-2-yl]ethanamine
CID 84670674
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
2-[2-[3-[dimethoxy(methyl)silyl]propyl]hydrazinyl]ethanamine
CID 139823284
1-octyl-2-propylpyrrole
CID 171570532
1-hexyl-2-propylpyrrole
CID 171570441
1-dodecyl-2-propylpyrrole
CID 171571227
2-[(2-butylpyrrol-1-yl)methoxy]ethyl-trimethylsilane
CID 13211466

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine?
The IUPAC name of 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine (CID 57015300) is 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine?
The canonical SMILES for 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine is CO[Si](C)(CCCc1cccn1CCN)OC.
What is the InChIKey of 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine?
The InChIKey is UKXNCNTVXNQPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2Si/c1-15-17(3,16-2)11-5-7-12-6-4-9-14(12)10-8-13/h4,6,9H,5,7-8,10-11,13H2,1-3H3.
What are the key properties of 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine?
2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine has a molecular weight of 256.42 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[dimethoxy(methyl)silyl]propyl]pyrrol-1-yl]ethanamine is sourced from PubChem (CID 57015300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).