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

C₁₀H₁₅NS — CID 170732019

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

(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (PubChem CID 170732019) has the molecular formula C₁₀H₁₅NS and a molecular weight of 181.30 g/mol. Its IUPAC name is (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.

Molecular Properties

• Compound Name: (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
• PubChem CID: 170732019
• Molecular Formula: C₁₀H₁₅NS
• Molecular Weight: 181.30 g/mol
• Exact Mass: 181.09
• IUPAC Name: (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
• SMILES: C/N=C1\SC=C\C1=C(\C)C(C)C
• InChI: InChI=1S/C10H15NS/c1-7(2)8(3)9-5-6-12-10(9)11-4/h5-7H,1-4H3/b9-8+,11-10-
• InChIKey: UDKVZLBXYFFOKQ-OCBXPSTGSA-N
• XLogP: 3.25
• TPSA: 12.36 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.30
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?

The IUPAC name of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine (CID 170732019) is (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine.

What is the SMILES notation for (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?

The canonical SMILES for (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is C/N=C1\SC=C\C1=C(\C)C(C)C.

What is the InChIKey of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?

The InChIKey is UDKVZLBXYFFOKQ-OCBXPSTGSA-N. The full InChI is InChI=1S/C10H15NS/c1-7(2)8(3)9-5-6-12-10(9)11-4/h5-7H,1-4H3/b9-8+,11-10-.

What are the key properties of (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine?

(3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine has a molecular weight of 181.30 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-N-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine is sourced from PubChem (CID 170732019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170732019 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.