5-(dibutylamino)thiophene-2-carbaldehyde

C13H21NOS — CID 15396910

IUPAC5-(dibutylamino)thiophene-2-carbaldehyde
SMILESCCCCN(CCCC)c1ccc(C=O)s1
InChIInChI=1S/C13H21NOS/c1-3-5-9-14(10-6-4-2)13-8-7-12(11-15)16-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyUUGVLJPYDWMYQN-UHFFFAOYSA-N
MW239.38 g/mol
LogP3.97
Rot. Bonds8

About 5-(dibutylamino)thiophene-2-carbaldehyde

5-(dibutylamino)thiophene-2-carbaldehyde (PubChem CID 15396910) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 5-(dibutylamino)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(dibutylamino)thiophene-2-carbaldehyde
PubChem CID15396910
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name5-(dibutylamino)thiophene-2-carbaldehyde
SMILESCCCCN(CCCC)c1ccc(C=O)s1
InChIInChI=1S/C13H21NOS/c1-3-5-9-14(10-6-4-2)13-8-7-12(11-15)16-13/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyUUGVLJPYDWMYQN-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.97
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 5-(dibutylamino)thiophene-2-carbaldehyde?
The IUPAC name of 5-(dibutylamino)thiophene-2-carbaldehyde (CID 15396910) is 5-(dibutylamino)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(dibutylamino)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(dibutylamino)thiophene-2-carbaldehyde is CCCCN(CCCC)c1ccc(C=O)s1.
What is the InChIKey of 5-(dibutylamino)thiophene-2-carbaldehyde?
The InChIKey is UUGVLJPYDWMYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-3-5-9-14(10-6-4-2)13-8-7-12(11-15)16-13/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(dibutylamino)thiophene-2-carbaldehyde?
5-(dibutylamino)thiophene-2-carbaldehyde has a molecular weight of 239.38 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylamino)thiophene-2-carbaldehyde is sourced from PubChem (CID 15396910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).