5-ethyl-2-(ethyliminomethyl)thiophen-3-amine

C9H14N2S — CID 123370847

IUPAC5-ethyl-2-(ethyliminomethyl)thiophen-3-amine
SMILESCC/N=C/c1sc(CC)cc1N
InChIInChI=1S/C9H14N2S/c1-3-7-5-8(10)9(12-7)6-11-4-2/h5-6H,3-4,10H2,1-2H3/b11-6+
InChIKeyXODUJYDPIQISIP-IZZDOVSWSA-N
MW182.29 g/mol
LogP2.33
Rot. Bonds3

About 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine

5-ethyl-2-(ethyliminomethyl)thiophen-3-amine (PubChem CID 123370847) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine.

Molecular Properties

Compound Name5-ethyl-2-(ethyliminomethyl)thiophen-3-amine
PubChem CID123370847
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-ethyl-2-(ethyliminomethyl)thiophen-3-amine
SMILESCC/N=C/c1sc(CC)cc1N
InChIInChI=1S/C9H14N2S/c1-3-7-5-8(10)9(12-7)6-11-4-2/h5-6H,3-4,10H2,1-2H3/b11-6+
InChIKeyXODUJYDPIQISIP-IZZDOVSWSA-N
XLogP2.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine?
The IUPAC name of 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine (CID 123370847) is 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine.
What is the SMILES notation for 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine?
The canonical SMILES for 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine is CC/N=C/c1sc(CC)cc1N.
What is the InChIKey of 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine?
The InChIKey is XODUJYDPIQISIP-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H14N2S/c1-3-7-5-8(10)9(12-7)6-11-4-2/h5-6H,3-4,10H2,1-2H3/b11-6+.
What are the key properties of 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine?
5-ethyl-2-(ethyliminomethyl)thiophen-3-amine has a molecular weight of 182.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(ethyliminomethyl)thiophen-3-amine is sourced from PubChem (CID 123370847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).