2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine

C16H25N3Si — CID 103437741

IUPAC2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESCn1ccnc1CCNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H25N3Si/c1-19-12-11-18-16(19)9-10-17-13-14-5-7-15(8-6-14)20(2,3)4/h5-8,11-12,17H,9-10,13H2,1-4H3
InChIKeyWSCRSGYXIHYNQO-UHFFFAOYSA-N
MW287.48 g/mol
LogP2.30
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine

2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine (PubChem CID 103437741) has the molecular formula C16H25N3Si and a molecular weight of 287.48 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
PubChem CID103437741
Molecular FormulaC16H25N3Si
Molecular Weight287.48 g/mol
Exact Mass287.18
IUPAC Name2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESCn1ccnc1CCNCc1ccc([Si](C)(C)C)cc1
InChIInChI=1S/C16H25N3Si/c1-19-12-11-18-16(19)9-10-17-13-14-5-7-15(8-6-14)20(2,3)4/h5-8,11-12,17H,9-10,13H2,1-4H3
InChIKeyWSCRSGYXIHYNQO-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
N-[[4-(difluoromethyl)phenyl]methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115523870
N,N-diethyl-4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]aniline
CID 61214429
N-[4-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]phenyl]acetamide
CID 61214869
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-[(3-bromo-4-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 83235355
N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 61211853
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
N-[[4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527116
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115762274

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine (CID 103437741) is 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine is Cn1ccnc1CCNCc1ccc([Si](C)(C)C)cc1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The InChIKey is WSCRSGYXIHYNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3Si/c1-19-12-11-18-16(19)9-10-17-13-14-5-7-15(8-6-14)20(2,3)4/h5-8,11-12,17H,9-10,13H2,1-4H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine has a molecular weight of 287.48 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine is sourced from PubChem (CID 103437741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).