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

C13H18N2S — CID 66411681

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCCn1cccc1CNCCc1cccs1
InChIInChI=1S/C13H18N2S/c1-2-15-9-3-5-12(15)11-14-8-7-13-6-4-10-16-13/h3-6,9-10,14H,2,7-8,11H2,1H3
InChIKeyCTAFHFZWHFWCLJ-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.90
Rot. Bonds6

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

N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine (PubChem CID 66411681) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
PubChem CID66411681
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
SMILESCCn1cccc1CNCCc1cccs1
InChIInChI=1S/C13H18N2S/c1-2-15-9-3-5-12(15)11-14-8-7-13-6-4-10-16-13/h3-6,9-10,14H,2,7-8,11H2,1H3
InChIKeyCTAFHFZWHFWCLJ-UHFFFAOYSA-N
XLogP2.90
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.90
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

1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 66411304
2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436535
N-[(1-ethylpyrrol-2-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 66444811
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
N-[(3-propan-2-ylimidazol-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 66131471
N-[(2,6-dichlorophenyl)methyl]-2-thiophen-2-ylethanamine
CID 15887858
N-(1,3-thiazol-5-ylmethyl)-2-thiophen-2-ylethanamine
CID 62759033
N-methyl-N'-(2-thiophen-2-ylethyl)methanediamine
CID 115227113
2-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66412851
N-[(1-ethylpyrrol-2-yl)methyl]-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 66411495
3-[(1-ethylpyrrol-2-yl)methylamino]propane-1-sulfonamide
CID 66443623
1-ethyl-3-(2-thiophen-2-ylethyl)imidazol-2-one
CID 116624291

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine (CID 66411681) is N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine is CCn1cccc1CNCCc1cccs1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
The InChIKey is CTAFHFZWHFWCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-15-9-3-5-12(15)11-14-8-7-13-6-4-10-16-13/h3-6,9-10,14H,2,7-8,11H2,1H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine?
N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine has a molecular weight of 234.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine is sourced from PubChem (CID 66411681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).