(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine

C11H17NS — CID 153342639

IUPAC(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
SMILESCC/N=C1\SC=C\C1=C(\C)C(C)C
InChIInChI=1S/C11H17NS/c1-5-12-11-10(6-7-13-11)9(4)8(2)3/h6-8H,5H2,1-4H3/b10-9+,12-11-
InChIKeyWJZJPAZSMNUUOV-PVHUKWJHSA-N
MW195.33 g/mol
LogP3.64
Rot. Bonds2

About (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine

(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (PubChem CID 153342639) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.

Molecular Properties

Compound Name(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
PubChem CID153342639
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
SMILESCC/N=C1\SC=C\C1=C(\C)C(C)C
InChIInChI=1S/C11H17NS/c1-5-12-11-10(6-7-13-11)9(4)8(2)3/h6-8H,5H2,1-4H3/b10-9+,12-11-
InChIKeyWJZJPAZSMNUUOV-PVHUKWJHSA-N
XLogP3.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236
ethane;(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640282
(3E)-N-ethyl-3-(3-methylpentan-2-ylidene)thiophen-2-imine
CID 153342670
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
(3E)-N-ethyl-5-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342788
(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine
CID 163393001
(3Z)-N,4-dimethyl-3-prop-2-enylidenethiophen-2-imine;ethane
CID 163393108
(3E)-3-butan-2-ylidene-N-methylthiophen-2-imine
CID 163994992
(3E)-N-ethyl-4-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 168228160

Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The IUPAC name of (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (CID 153342639) is (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.
What is the SMILES notation for (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The canonical SMILES for (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is CC/N=C1\SC=C\C1=C(\C)C(C)C.
What is the InChIKey of (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
The InChIKey is WJZJPAZSMNUUOV-PVHUKWJHSA-N. The full InChI is InChI=1S/C11H17NS/c1-5-12-11-10(6-7-13-11)9(4)8(2)3/h6-8H,5H2,1-4H3/b10-9+,12-11-.
What are the key properties of (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?
(3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine has a molecular weight of 195.33 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is sourced from PubChem (CID 153342639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).