N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine

C13H18N2S — CID 115897948

IUPACN-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CCNCc1cccn1C
InChIInChI=1S/C13H18N2S/c1-11-6-9-16-13(11)5-7-14-10-12-4-3-8-15(12)2/h3-4,6,8-9,14H,5,7,10H2,1-2H3
InChIKeyWSFHQFFQBLZIOO-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.73
Rot. Bonds5

About N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine

N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 115897948) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID115897948
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine
SMILESCc1ccsc1CCNCc1cccn1C
InChIInChI=1S/C13H18N2S/c1-11-6-9-16-13(11)5-7-14-10-12-4-3-8-15(12)2/h3-4,6,8-9,14H,5,7,10H2,1-2H3
InChIKeyWSFHQFFQBLZIOO-UHFFFAOYSA-N
XLogP2.73
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.73
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-thiophen-3-ylethanamine
CID 62132424
N-[(1-methylpyrrol-2-yl)methyl]-2-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 115641746
2-(3-methylthiophen-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115897921
2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 130478285
N-[(1-methylpyrrol-2-yl)methyl]propan-1-amine;hydrochloride
CID 17293409
2-[2-(3-methylthiophen-2-yl)ethylamino]ethanol
CID 115216347
2-[2-(3-methylthiophen-2-yl)ethylamino]acetonitrile
CID 115131313
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
N-[(1-methylpyrrol-2-yl)methyl]-3-phenylpropan-1-amine
CID 46398450
2,2,2-trifluoro-N-[2-(3-methylthiophen-2-yl)ethyl]ethanamine
CID 115258076
3-[2-(3-methylthiophen-2-yl)ethylamino]propane-1-thiol
CID 115225201
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-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine (CID 115897948) is N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine is Cc1ccsc1CCNCc1cccn1C.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is WSFHQFFQBLZIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-11-6-9-16-13(11)5-7-14-10-12-4-3-8-15(12)2/h3-4,6,8-9,14H,5,7,10H2,1-2H3.
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine?
N-[(1-methylpyrrol-2-yl)methyl]-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 234.37 g/mol, XLogP of 2.73, 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-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 115897948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).