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

C12H24N2O2Si — CID 57235455

IUPAC2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine
SMILESCO[Si](C)(CCCc1[nH]ccc1CCN)OC
InChIInChI=1S/C12H24N2O2Si/c1-15-17(3,16-2)10-4-5-12-11(6-8-13)7-9-14-12/h7,9,14H,4-6,8,10,13H2,1-3H3
InChIKeyLHIULTCKOAJDPT-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.81
Rot. Bonds8

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

2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine (PubChem CID 57235455) 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]-1H-pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine
PubChem CID57235455
Molecular FormulaC12H24N2O2Si
Molecular Weight256.42 g/mol
Exact Mass256.16
IUPAC Name2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine
SMILESCO[Si](C)(CCCc1[nH]ccc1CCN)OC
InChIInChI=1S/C12H24N2O2Si/c1-15-17(3,16-2)10-4-5-12-11(6-8-13)7-9-14-12/h7,9,14H,4-6,8,10,13H2,1-3H3
InChIKeyLHIULTCKOAJDPT-UHFFFAOYSA-N
XLogP1.81
TPSA60.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine?
The IUPAC name of 2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine (CID 57235455) is 2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine?
The canonical SMILES for 2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine is CO[Si](C)(CCCc1[nH]ccc1CCN)OC.
What is the InChIKey of 2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine?
The InChIKey is LHIULTCKOAJDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2Si/c1-15-17(3,16-2)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-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine?
2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine has a molecular weight of 256.42 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[dimethoxy(methyl)silyl]propyl]-1H-pyrrol-3-yl]ethanamine is sourced from PubChem (CID 57235455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).