1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine

C12H16N2S — CID 66411304

IUPAC1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCn1cccc1CNCc1cccs1
InChIInChI=1S/C12H16N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h3-8,13H,2,9-10H2,1H3
InChIKeyFTTAHQUSFDAAAV-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.86
Rot. Bonds5

About 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine

1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 66411304) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID66411304
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCn1cccc1CNCc1cccs1
InChIInChI=1S/C12H16N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h3-8,13H,2,9-10H2,1H3
InChIKeyFTTAHQUSFDAAAV-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-2-thiophen-2-ylethanamine
CID 66411681
2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436535
1-(1-ethylpyrrol-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 66444807
1-(2-methylpyrazol-3-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 19626588
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
N-[2-[(1-ethylpyrrol-2-yl)methylamino]ethyl]acetamide
CID 66411108
N-[(3-methylimidazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62999179
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882107
N'-[(1-ethylpyrrol-2-yl)methyl]butane-1,4-diamine
CID 66411172
1-(4-methylphenyl)-2-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methylamino]ethanol
CID 111436544
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66413345
N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 64686739

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 66411304) is 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine is CCn1cccc1CNCc1cccs1.
What is the InChIKey of 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is FTTAHQUSFDAAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h3-8,13H,2,9-10H2,1H3.
What are the key properties of 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 220.34 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrol-2-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 66411304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).