N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine

C12H16N2S — CID 62132424

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
SMILESCn1cccc1CNCCc1ccsc1
InChIInChI=1S/C12H16N2S/c1-14-7-2-3-12(14)9-13-6-4-11-5-8-15-10-11/h2-3,5,7-8,10,13H,4,6,9H2,1H3
InChIKeyZKAJXPMIKDKIOT-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.42
Rot. Bonds5

About N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine

N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine (PubChem CID 62132424) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
PubChem CID62132424
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine
SMILESCn1cccc1CNCCc1ccsc1
InChIInChI=1S/C12H16N2S/c1-14-7-2-3-12(14)9-13-6-4-11-5-8-15-10-11/h2-3,5,7-8,10,13H,4,6,9H2,1H3
InChIKeyZKAJXPMIKDKIOT-UHFFFAOYSA-N
XLogP2.42
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
CID 115897948
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
2-(3,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 3141735
1-[(1-methylpyrrol-2-yl)methylamino]-2-thiophen-3-ylpropan-2-ol
CID 111449467
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
N-[[1-(2-thiophen-3-ylethyl)pyrrol-2-yl]methyl]propan-2-amine
CID 66400811
N-[(1-methylpyrrol-2-yl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115641746
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
N-[(1-methylpyrrol-2-yl)methyl]octan-1-amine;hydrochloride
CID 17331302

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine (CID 62132424) is N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine is Cn1cccc1CNCCc1ccsc1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine?
The InChIKey is ZKAJXPMIKDKIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-14-7-2-3-12(14)9-13-6-4-11-5-8-15-10-11/h2-3,5,7-8,10,13H,4,6,9H2,1H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine?
N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine has a molecular weight of 220.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-2-thiophen-3-ylethanamine is sourced from PubChem (CID 62132424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).