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

C12H20N2S — CID 3157138

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1cccs1
InChIInChI=1S/C12H20N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKeyUVGPYRXJNKLVGO-UHFFFAOYSA-N
MW224.37 g/mol
LogP2.32
Rot. Bonds5

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

1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine (PubChem CID 3157138) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
PubChem CID3157138
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1cccs1
InChIInChI=1S/C12H20N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3
InChIKeyUVGPYRXJNKLVGO-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine;oxalic acid
CID 17053126
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
1-[(1-ethylpiperidin-2-yl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111764434
N-[[1-(thiophen-2-ylmethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580578
1-(1-ethylpyrrolidin-2-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 43233239
1-[(2S)-1-ethylpyrrolidin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 51627850
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-methylphenyl)methyl]methanamine
CID 51627856
1-(1-ethylpyrrolidin-2-yl)-N-(1H-pyrrol-2-ylmethyl)methanamine
CID 60663876
N-benzyl-1-(1-ethylpyrrolidin-2-yl)methanamine;oxalic acid
CID 17053062
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79312516
1-[(2R)-1-ethylpyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 51627868
1-(1-ethylpiperidin-2-yl)-N-(furan-2-ylmethyl)methanamine
CID 115621753

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine (CID 3157138) is 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine is CCN1CCCC1CNCc1cccs1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
The InChIKey is UVGPYRXJNKLVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-14-7-3-5-11(14)9-13-10-12-6-4-8-15-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine has a molecular weight of 224.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-(thiophen-2-ylmethyl)methanamine is sourced from PubChem (CID 3157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).