2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde

C9H14N2O — CID 115223392

IUPAC2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
SMILESCN(CC=O)CCc1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-11(6-7-12)5-3-9-2-4-10-8-9/h2,4,7-8,10H,3,5-6H2,1H3
InChIKeyRECIIESKXKWJFW-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.69
Rot. Bonds5

About 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde

2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde (PubChem CID 115223392) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
PubChem CID115223392
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
SMILESCN(CC=O)CCc1cc[nH]c1
InChIInChI=1S/C9H14N2O/c1-11(6-7-12)5-3-9-2-4-10-8-9/h2,4,7-8,10H,3,5-6H2,1H3
InChIKeyRECIIESKXKWJFW-UHFFFAOYSA-N
XLogP0.69
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-amine
CID 115213525
N-methyl-2-piperazin-1-yl-N-[2-(1H-pyrrol-3-yl)ethyl]propan-1-amine
CID 115255786
N-methyl-N-(piperidin-3-ylmethyl)-2-(1H-pyrrol-3-yl)ethanamine
CID 115209739
4-[[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239943
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115213082
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305
N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]piperidin-4-amine
CID 115145619
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl]butanoic acid
CID 115186091
2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115180157
2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]acetaldehyde
CID 115223336

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde?
The IUPAC name of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde (CID 115223392) is 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde.
What is the SMILES notation for 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde?
The canonical SMILES for 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde is CN(CC=O)CCc1cc[nH]c1.
What is the InChIKey of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde?
The InChIKey is RECIIESKXKWJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-11(6-7-12)5-3-9-2-4-10-8-9/h2,4,7-8,10H,3,5-6H2,1H3.
What are the key properties of 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde?
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde has a molecular weight of 166.22 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde is sourced from PubChem (CID 115223392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).