N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine

C14H15NS — CID 2351502

IUPACN-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C14H15NS/c1-11(2)12-5-7-13(8-6-12)15-10-14-4-3-9-16-14/h3-11H,1-2H3/b15-10+
InChIKeyIIGUXQOUPPFCMP-XNTDXEJSSA-N
MW229.35 g/mol
LogP4.62
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine

N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine (PubChem CID 2351502) has the molecular formula C14H15NS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine
PubChem CID2351502
Molecular FormulaC14H15NS
Molecular Weight229.35 g/mol
Exact Mass229.09
IUPAC NameN-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine
SMILESCC(C)c1ccc(/N=C/c2cccs2)cc1
InChIInChI=1S/C14H15NS/c1-11(2)12-5-7-13(8-6-12)15-10-14-4-3-9-16-14/h3-11H,1-2H3/b15-10+
InChIKeyIIGUXQOUPPFCMP-XNTDXEJSSA-N
XLogP4.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
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-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine (CID 2351502) is N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine is CC(C)c1ccc(/N=C/c2cccs2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is IIGUXQOUPPFCMP-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15NS/c1-11(2)12-5-7-13(8-6-12)15-10-14-4-3-9-16-14/h3-11H,1-2H3/b15-10+.
What are the key properties of N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine?
N-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 229.35 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-(4-propan-2-ylphenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 2351502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).