N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine

C10H13NS — CID 123529924

IUPACN-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
SMILESC=C(C=C1C=CS/C1=N\C)CC
InChIInChI=1S/C10H13NS/c1-4-8(2)7-9-5-6-12-10(9)11-3/h5-7H,2,4H2,1,3H3/b9-7?,11-10-
InChIKeyVFVDTSBMJVDTFF-GRISIXQJSA-N
MW179.29 g/mol
LogP3.17
Rot. Bonds2

About N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine

N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine (PubChem CID 123529924) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine.

Molecular Properties

Compound NameN-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
PubChem CID123529924
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
SMILESC=C(C=C1C=CS/C1=N\C)CC
InChIInChI=1S/C10H13NS/c1-4-8(2)7-9-5-6-12-10(9)11-3/h5-7H,2,4H2,1,3H3/b9-7?,11-10-
InChIKeyVFVDTSBMJVDTFF-GRISIXQJSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.17
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-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
5,6-dimethyl-5H-thieno[2,3-b]azepine
CID 123293227
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
CID 123630813
3-ethylidene-N-methylthiophen-2-imine
CID 123936114
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
ethenyl (3Z,4E)-4-butylidene-N-methyl-3-pentylidenecyclohexa-1,5-diene-1-carboximidothioate;2-methylbut-1-ene
CID 143712501
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
[(1E,3Z)-6-methyl-5-methylidenehepta-1,3,6-trienyl] N-methylethanimidothioate
CID 143975900
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine?
The IUPAC name of N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine (CID 123529924) is N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine.
What is the SMILES notation for N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine?
The canonical SMILES for N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine is C=C(C=C1C=CS/C1=N\C)CC.
What is the InChIKey of N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine?
The InChIKey is VFVDTSBMJVDTFF-GRISIXQJSA-N. The full InChI is InChI=1S/C10H13NS/c1-4-8(2)7-9-5-6-12-10(9)11-3/h5-7H,2,4H2,1,3H3/b9-7?,11-10-.
What are the key properties of N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine?
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine has a molecular weight of 179.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine is sourced from PubChem (CID 123529924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).