N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine

C12H17NS — CID 129225415

IUPACN-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
SMILESC=C/N=C1\SC(C(C)C)=CC1=C(C)C
InChIInChI=1S/C12H17NS/c1-6-13-12-10(8(2)3)7-11(14-12)9(4)5/h6-7,9H,1H2,2-5H3/b13-12-
InChIKeyZJOOMKAILIFBJF-SEYXRHQNSA-N
MW207.34 g/mol
LogP4.15
Rot. Bonds2

About N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine

N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine (PubChem CID 129225415) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine.

Molecular Properties

Compound NameN-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
PubChem CID129225415
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC NameN-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
SMILESC=C/N=C1\SC(C(C)C)=CC1=C(C)C
InChIInChI=1S/C12H17NS/c1-6-13-12-10(8(2)3)7-11(14-12)9(4)5/h6-7,9H,1H2,2-5H3/b13-12-
InChIKeyZJOOMKAILIFBJF-SEYXRHQNSA-N
XLogP4.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 54.15
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'}

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Related Compounds

2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
CID 59400358
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
5-ethyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 144840803
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683
(3E)-N-ethyl-5-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342788
2H-thieno[2,3-b]azepine
CID 154275911
(3E)-N-[(E)-but-1-enyl]-4,5-dimethyl-3-pentan-2-ylidenethiophen-2-imine
CID 154967455
5-Ethyl-2,5-dimethylthieno[2,3-b]azepine
CID 163724687
N-ethenyl-5-[(1E,3Z,6Z)-5-methylcycloocta-1,3,6-trien-1-yl]-2-propan-2-ylidenethiophen-3-imine
CID 166682417

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine?
The IUPAC name of N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine (CID 129225415) is N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine.
What is the SMILES notation for N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine?
The canonical SMILES for N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine is C=C/N=C1\SC(C(C)C)=CC1=C(C)C.
What is the InChIKey of N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine?
The InChIKey is ZJOOMKAILIFBJF-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H17NS/c1-6-13-12-10(8(2)3)7-11(14-12)9(4)5/h6-7,9H,1H2,2-5H3/b13-12-.
What are the key properties of N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine?
N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine has a molecular weight of 207.34 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine is sourced from PubChem (CID 129225415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).