5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde

C8H12N2OS — CID 88680246

IUPAC5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde
SMILESNCCNCc1ccc(C=O)s1
InChIInChI=1S/C8H12N2OS/c9-3-4-10-5-7-1-2-8(6-11)12-7/h1-2,6,10H,3-5,9H2
InChIKeyORSBRUFSHOTSPL-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.61
Rot. Bonds5

About 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde

5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde (PubChem CID 88680246) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde
PubChem CID88680246
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde
SMILESNCCNCc1ccc(C=O)s1
InChIInChI=1S/C8H12N2OS/c9-3-4-10-5-7-1-2-8(6-11)12-7/h1-2,6,10H,3-5,9H2
InChIKeyORSBRUFSHOTSPL-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde (CID 88680246) is 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde is NCCNCc1ccc(C=O)s1.
What is the InChIKey of 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde?
The InChIKey is ORSBRUFSHOTSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c9-3-4-10-5-7-1-2-8(6-11)12-7/h1-2,6,10H,3-5,9H2.
What are the key properties of 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde?
5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde has a molecular weight of 184.26 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoethylamino)methyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 88680246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).