1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine

C8H12N2S — CID 138527231

IUPAC1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine
SMILES[H]/N=C(\C)c1ccc(CNC)s1
InChIInChI=1S/C8H12N2S/c1-6(9)8-4-3-7(11-8)5-10-2/h3-4,9-10H,5H2,1-2H3/b9-6+
InChIKeySOMPAAUJFZVQHR-RMKNXTFCSA-N
MW168.26 g/mol
LogP1.86
Rot. Bonds3

About 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine

1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine (PubChem CID 138527231) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine
PubChem CID138527231
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine
SMILES[H]/N=C(\C)c1ccc(CNC)s1
InChIInChI=1S/C8H12N2S/c1-6(9)8-4-3-7(11-8)5-10-2/h3-4,9-10H,5H2,1-2H3/b9-6+
InChIKeySOMPAAUJFZVQHR-RMKNXTFCSA-N
XLogP1.86
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine (CID 138527231) is 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine is [H]/N=C(\C)c1ccc(CNC)s1.
What is the InChIKey of 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine?
The InChIKey is SOMPAAUJFZVQHR-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N2S/c1-6(9)8-4-3-7(11-8)5-10-2/h3-4,9-10H,5H2,1-2H3/b9-6+.
What are the key properties of 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine?
1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine has a molecular weight of 168.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethanimidoylthiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 138527231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).