1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine

C15H17NS — CID 681036

IUPAC1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2sccc2C)c(C)c1
InChIInChI=1S/C15H17NS/c1-10-7-12(3)15(13(4)8-10)16-9-14-11(2)5-6-17-14/h5-9H,1-4H3/b16-9+
InChIKeyVQGGJLAONLIUMZ-CXUHLZMHSA-N
MW243.37 g/mol
LogP4.73
Rot. Bonds2

About 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine

1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 681036) has the molecular formula C15H17NS and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID681036
Molecular FormulaC15H17NS
Molecular Weight243.37 g/mol
Exact Mass243.11
IUPAC Name1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2sccc2C)c(C)c1
InChIInChI=1S/C15H17NS/c1-10-7-12(3)15(13(4)8-10)16-9-14-11(2)5-6-17-14/h5-9H,1-4H3/b16-9+
InChIKeyVQGGJLAONLIUMZ-CXUHLZMHSA-N
XLogP4.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine (CID 681036) is 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2sccc2C)c(C)c1.
What is the InChIKey of 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is VQGGJLAONLIUMZ-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H17NS/c1-10-7-12(3)15(13(4)8-10)16-9-14-11(2)5-6-17-14/h5-9H,1-4H3/b16-9+.
What are the key properties of 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine?
1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 243.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 681036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).