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

C10H13NS — CID 123630813

IUPACN-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
SMILESC=C(C=C1SC=C/C1=N\C)CC
InChIInChI=1S/C10H13NS/c1-4-8(2)7-10-9(11-3)5-6-12-10/h5-7H,2,4H2,1,3H3/b10-7?,11-9+
InChIKeyQZZINNOQGBBKFF-LQBWKNETSA-N
MW179.29 g/mol
LogP3.17
Rot. Bonds2

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

N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine (PubChem CID 123630813) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine.

Molecular Properties

Compound NameN-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
PubChem CID123630813
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN-methyl-2-(2-methylidenebutylidene)thiophen-3-imine
SMILESC=C(C=C1SC=C/C1=N\C)CC
InChIInChI=1S/C10H13NS/c1-4-8(2)7-10-9(11-3)5-6-12-10/h5-7H,2,4H2,1,3H3/b10-7?,11-9+
InChIKeyQZZINNOQGBBKFF-LQBWKNETSA-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': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Methanamine, N-(1-methyl-2-(5-methyl-3H-1,2-dithiol-3-ylidene)ethylidene)-
CID 6432555
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CID 19810500
6-methylidene-2H-1,3-benzothiazole
CID 23283920
2H-Indeno[5,6-D]thiazole
CID 45077401
5,5-Dimethylthieno[3,2-b]azepine
CID 70310908
2H-cyclopenta[g][1,3]benzothiazole
CID 88447412
N-methyl-1-methylsulfanylhepta-4,6-dien-3-imine
CID 123333106
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
N-methyl-5-methylsulfanylhepta-1,4,6-trien-3-imine
CID 123528853
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
(5E)-4-ethyl-5-prop-2-enylidene-2H-1,3-thiazole
CID 123544736
(3E,4E,7Z)-N,5-dimethyl-6-methylidene-8-methylsulfanyl-3-propylideneocta-4,7-dien-2-imine
CID 126491003

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine?
The IUPAC name of N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine (CID 123630813) is N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine.
What is the SMILES notation for N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine?
The canonical SMILES for N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine is C=C(C=C1SC=C/C1=N\C)CC.
What is the InChIKey of N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine?
The InChIKey is QZZINNOQGBBKFF-LQBWKNETSA-N. The full InChI is InChI=1S/C10H13NS/c1-4-8(2)7-10-9(11-3)5-6-12-10/h5-7H,2,4H2,1,3H3/b10-7?,11-9+.
What are the key properties of N-methyl-2-(2-methylidenebutylidene)thiophen-3-imine?
N-methyl-2-(2-methylidenebutylidene)thiophen-3-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-2-(2-methylidenebutylidene)thiophen-3-imine is sourced from PubChem (CID 123630813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).