N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine

C15H15NS — CID 138982453

IUPACN-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)=C(/N=C/c1cccs1)c1ccccc1
InChIInChI=1S/C15H15NS/c1-12(2)15(13-7-4-3-5-8-13)16-11-14-9-6-10-17-14/h3-11H,1-2H3/b16-11+
InChIKeyKQHJBFGLOQWLKQ-LFIBNONCSA-N
MW241.36 g/mol
LogP4.62
Rot. Bonds3

About N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine

N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine (PubChem CID 138982453) has the molecular formula C15H15NS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine
PubChem CID138982453
Molecular FormulaC15H15NS
Molecular Weight241.36 g/mol
Exact Mass241.09
IUPAC NameN-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)=C(/N=C/c1cccs1)c1ccccc1
InChIInChI=1S/C15H15NS/c1-12(2)15(13-7-4-3-5-8-13)16-11-14-9-6-10-17-14/h3-11H,1-2H3/b16-11+
InChIKeyKQHJBFGLOQWLKQ-LFIBNONCSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 54.62
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 N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine (CID 138982453) is N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine is CC(C)=C(/N=C/c1cccs1)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine?
The InChIKey is KQHJBFGLOQWLKQ-LFIBNONCSA-N. The full InChI is InChI=1S/C15H15NS/c1-12(2)15(13-7-4-3-5-8-13)16-11-14-9-6-10-17-14/h3-11H,1-2H3/b16-11+.
What are the key properties of N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine?
N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine has a molecular weight of 241.36 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylprop-1-enyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 138982453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).