4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde

C12H19NOS — CID 96603752

IUPAC4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1CN(CC)CC
InChIInChI=1S/C12H19NOS/c1-4-12-10(7-11(9-14)15-12)8-13(5-2)6-3/h7,9H,4-6,8H2,1-3H3
InChIKeyGNYWPLZPAUDFHK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.96
Rot. Bonds6

About 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde

4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde (PubChem CID 96603752) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde
PubChem CID96603752
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1CN(CC)CC
InChIInChI=1S/C12H19NOS/c1-4-12-10(7-11(9-14)15-12)8-13(5-2)6-3/h7,9H,4-6,8H2,1-3H3
InChIKeyGNYWPLZPAUDFHK-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde?
The IUPAC name of 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde (CID 96603752) is 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde?
The canonical SMILES for 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde is CCc1sc(C=O)cc1CN(CC)CC.
What is the InChIKey of 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde?
The InChIKey is GNYWPLZPAUDFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-4-12-10(7-11(9-14)15-12)8-13(5-2)6-3/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde?
4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde has a molecular weight of 225.36 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde is sourced from PubChem (CID 96603752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).