N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine

C13H16N2S — CID 61064807

IUPACN-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cccnc1
InChIInChI=1S/C13H16N2S/c1-2-15-13(9-12-6-4-8-16-12)11-5-3-7-14-10-11/h3-8,10,13,15H,2,9H2,1H3
InChIKeyVNDZBNYORTZEDR-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.04
Rot. Bonds5

About N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine

N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine (PubChem CID 61064807) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
PubChem CID61064807
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1cccnc1
InChIInChI=1S/C13H16N2S/c1-2-15-13(9-12-6-4-8-16-12)11-5-3-7-14-10-11/h3-8,10,13,15H,2,9H2,1H3
InChIKeyVNDZBNYORTZEDR-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyrimidin-5-yl-2-thiophen-2-ylethanamine
CID 62501356
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-thiophen-2-ylethanamine
CID 62502018
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
N-ethyl-1-pyrimidin-4-yl-2-thiophen-2-ylethanamine
CID 63988342
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-2-ylethanamine
CID 82730318
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-1-thieno[3,2-b]pyridin-6-yl-2-thiophen-2-ylethanamine
CID 81144170
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 82809918
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
N-(pyridin-3-ylmethyl)-1,2-dithiophen-2-ylethanamine
CID 43769483
N-ethyl-2-(5-methyl-2-pyridinyl)-1-pyridin-3-ylethanamine
CID 66447908

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine?
The IUPAC name of N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine (CID 61064807) is N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine.
What is the SMILES notation for N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine?
The canonical SMILES for N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1cccnc1.
What is the InChIKey of N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine?
The InChIKey is VNDZBNYORTZEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-15-13(9-12-6-4-8-16-12)11-5-3-7-14-10-11/h3-8,10,13,15H,2,9H2,1H3.
What are the key properties of N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine?
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 61064807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).