1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine

C12H20N2S — CID 51085280

IUPAC1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2cccs2)C1
InChIInChI=1S/C12H20N2S/c1-2-14-6-5-11(10-14)8-13-9-12-4-3-7-15-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3
InChIKeyHFLCJDWLDXYTHT-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.18
Rot. Bonds5

About 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine

1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 51085280) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID51085280
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCN1CCC(CNCc2cccs2)C1
InChIInChI=1S/C12H20N2S/c1-2-14-6-5-11(10-14)8-13-9-12-4-3-7-15-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3
InChIKeyHFLCJDWLDXYTHT-UHFFFAOYSA-N
XLogP2.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 51085280) is 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine is CCN1CCC(CNCc2cccs2)C1.
What is the InChIKey of 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is HFLCJDWLDXYTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-14-6-5-11(10-14)8-13-9-12-4-3-7-15-12/h3-4,7,11,13H,2,5-6,8-10H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 51085280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).