4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde

C14H24N2OS — CID 102994599

IUPAC4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde
SMILESCCN(CC)CCCN(CC)c1csc(C=O)c1
InChIInChI=1S/C14H24N2OS/c1-4-15(5-2)8-7-9-16(6-3)13-10-14(11-17)18-12-13/h10-12H,4-9H2,1-3H3
InChIKeyLXFVBMKXFSDPQQ-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.12
Rot. Bonds9

About 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde

4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde (PubChem CID 102994599) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde
PubChem CID102994599
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde
SMILESCCN(CC)CCCN(CC)c1csc(C=O)c1
InChIInChI=1S/C14H24N2OS/c1-4-15(5-2)8-7-9-16(6-3)13-10-14(11-17)18-12-13/h10-12H,4-9H2,1-3H3
InChIKeyLXFVBMKXFSDPQQ-UHFFFAOYSA-N
XLogP3.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde (CID 102994599) is 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde is CCN(CC)CCCN(CC)c1csc(C=O)c1.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde?
The InChIKey is LXFVBMKXFSDPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-15(5-2)8-7-9-16(6-3)13-10-14(11-17)18-12-13/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde?
4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde has a molecular weight of 268.43 g/mol, XLogP of 3.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]thiophene-2-carbaldehyde is sourced from PubChem (CID 102994599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).