ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

C14H25NS — CID 153342777

IUPACethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESCC.CC/N=C1\C=C(C)S\C1=C(\C)C(C)C
InChIInChI=1S/C12H19NS.C2H6/c1-6-13-11-7-9(4)14-12(11)10(5)8(2)3;1-2/h7-8H,6H2,1-5H3;1-2H3/b12-10-,13-11+;
InChIKeyKNQQAVSFTNAGAH-XBSYKESISA-N
MW239.43 g/mol
LogP5.05
Rot. Bonds2

About ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (PubChem CID 153342777) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.

Molecular Properties

Compound Nameethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
PubChem CID153342777
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC Nameethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESCC.CC/N=C1\C=C(C)S\C1=C(\C)C(C)C
InChIInChI=1S/C12H19NS.C2H6/c1-6-13-11-7-9(4)14-12(11)10(5)8(2)3;1-2/h7-8H,6H2,1-5H3;1-2H3/b12-10-,13-11+;
InChIKeyKNQQAVSFTNAGAH-XBSYKESISA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.43
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N,5-dimethyl-2-propan-2-ylidenethiophen-3-imine;ethane
CID 143858138
(2E)-2-butan-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858158
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
(3E)-N-ethyl-5-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 153342788
ethane;(3E)-N-ethyl-5-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 168228224
(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170593162
ethane;N-ethyl-2-propan-2-ylidenethiophen-3-imine
CID 170732073
ethane;(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732082
(E)-6-ethylsulfanyl-N-(2-methylpropyl)hept-3-en-2-imine
CID 171739942

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The IUPAC name of ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (CID 153342777) is ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.
What is the SMILES notation for ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The canonical SMILES for ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is CC.CC/N=C1\C=C(C)S\C1=C(\C)C(C)C.
What is the InChIKey of ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The InChIKey is KNQQAVSFTNAGAH-XBSYKESISA-N. The full InChI is InChI=1S/C12H19NS.C2H6/c1-6-13-11-7-9(4)14-12(11)10(5)8(2)3;1-2/h7-8H,6H2,1-5H3;1-2H3/b12-10-,13-11+;.
What are the key properties of ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine has a molecular weight of 239.43 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is sourced from PubChem (CID 153342777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).