1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine

C17H23NOSSi — CID 90458023

IUPAC1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine
SMILESCc1ccc(/C=N/CC(O[Si](C)(C)C)c2ccccc2)s1
InChIInChI=1S/C17H23NOSSi/c1-14-10-11-16(20-14)12-18-13-17(19-21(2,3)4)15-8-6-5-7-9-15/h5-12,17H,13H2,1-4H3/b18-12+
InChIKeyNJUMGFXHJUEKMN-LDADJPATSA-N
MW317.53 g/mol
LogP5.07
Rot. Bonds6

About 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine

1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine (PubChem CID 90458023) has the molecular formula C17H23NOSSi and a molecular weight of 317.53 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine
PubChem CID90458023
Molecular FormulaC17H23NOSSi
Molecular Weight317.53 g/mol
Exact Mass317.13
IUPAC Name1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine
SMILESCc1ccc(/C=N/CC(O[Si](C)(C)C)c2ccccc2)s1
InChIInChI=1S/C17H23NOSSi/c1-14-10-11-16(20-14)12-18-13-17(19-21(2,3)4)15-8-6-5-7-9-15/h5-12,17H,13H2,1-4H3/b18-12+
InChIKeyNJUMGFXHJUEKMN-LDADJPATSA-N
XLogP5.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.53
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine (CID 90458023) is 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine is Cc1ccc(/C=N/CC(O[Si](C)(C)C)c2ccccc2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine?
The InChIKey is NJUMGFXHJUEKMN-LDADJPATSA-N. The full InChI is InChI=1S/C17H23NOSSi/c1-14-10-11-16(20-14)12-18-13-17(19-21(2,3)4)15-8-6-5-7-9-15/h5-12,17H,13H2,1-4H3/b18-12+.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine?
1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine has a molecular weight of 317.53 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(2-phenyl-2-trimethylsilyloxyethyl)methanimine is sourced from PubChem (CID 90458023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).