1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine

C13H16N2S — CID 82730091

IUPAC1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCCc1cccnc1C(NC)c1ccsc1
InChIInChI=1S/C13H16N2S/c1-3-10-5-4-7-15-13(10)12(14-2)11-6-8-16-9-11/h4-9,12,14H,3H2,1-2H3
InChIKeyMGRCODJRGRUAGS-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.01
Rot. Bonds4

About 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine

1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 82730091) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID82730091
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
SMILESCCc1cccnc1C(NC)c1ccsc1
InChIInChI=1S/C13H16N2S/c1-3-10-5-4-7-15-13(10)12(14-2)11-6-8-16-9-11/h4-9,12,14H,3H2,1-2H3
InChIKeyMGRCODJRGRUAGS-UHFFFAOYSA-N
XLogP3.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine
CID 103444122
1-(3,4-dimethylphenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82730774
1-(3-chlorophenyl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 82731318
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 82732624
1-(3-ethyl-2-pyridinyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 82732602
N-ethyl-1-(3-ethyl-2-pyridinyl)-2-thiophen-3-ylethanamine
CID 82730797
1-(3-ethyl-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 82729981
1-(3-ethyl-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 82741172
1-(5-ethylfuran-2-yl)-N-methyl-1-thiophen-3-ylmethanamine
CID 62345338
N-[(3-ethyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82732767
[(3-fluoro-2-pyridinyl)-thiophen-3-ylmethyl]hydrazine
CID 105257717
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-ethyl-2-pyridinyl)-N-methylmethanamine
CID 114660043

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine (CID 82730091) is 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine is CCc1cccnc1C(NC)c1ccsc1.
What is the InChIKey of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is MGRCODJRGRUAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-3-10-5-4-7-15-13(10)12(14-2)11-6-8-16-9-11/h4-9,12,14H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine?
1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-pyridinyl)-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 82730091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).