N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine

C15H17NS — CID 2346269

IUPACN-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine
SMILESCC(C)(C)c1ccc(/N=C/c2ccsc2)cc1
InChIInChI=1S/C15H17NS/c1-15(2,3)13-4-6-14(7-5-13)16-10-12-8-9-17-11-12/h4-11H,1-3H3/b16-10+
InChIKeyJUASJKXUBCUNSP-MHWRWJLKSA-N
MW243.38 g/mol
LogP4.80
Rot. Bonds2

About N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine

N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine (PubChem CID 2346269) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine
PubChem CID2346269
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC NameN-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine
SMILESCC(C)(C)c1ccc(/N=C/c2ccsc2)cc1
InChIInChI=1S/C15H17NS/c1-15(2,3)13-4-6-14(7-5-13)16-10-12-8-9-17-11-12/h4-11H,1-3H3/b16-10+
InChIKeyJUASJKXUBCUNSP-MHWRWJLKSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.80
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-tert-butylphenyl)-1-thiophen-3-ylmethanimine?
The IUPAC name of N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine (CID 2346269) is N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine.
What is the SMILES notation for N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine?
The canonical SMILES for N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine is CC(C)(C)c1ccc(/N=C/c2ccsc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine?
The InChIKey is JUASJKXUBCUNSP-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H17NS/c1-15(2,3)13-4-6-14(7-5-13)16-10-12-8-9-17-11-12/h4-11H,1-3H3/b16-10+.
What are the key properties of N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine?
N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine has a molecular weight of 243.38 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-1-thiophen-3-ylmethanimine is sourced from PubChem (CID 2346269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).