1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine

C17H24N2S — CID 79975032

IUPAC1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1sccc1CC)C(C)c1ccncc1
InChIInChI=1S/C17H24N2S/c1-4-9-19-16(17-14(5-2)8-12-20-17)13(3)15-6-10-18-11-7-15/h6-8,10-13,16,19H,4-5,9H2,1-3H3
InChIKeyYYTFJZCITMURET-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.55
Rot. Bonds7

About 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine

1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine (PubChem CID 79975032) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
PubChem CID79975032
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
SMILESCCCNC(c1sccc1CC)C(C)c1ccncc1
InChIInChI=1S/C17H24N2S/c1-4-9-19-16(17-14(5-2)8-12-20-17)13(3)15-6-10-18-11-7-15/h6-8,10-13,16,19H,4-5,9H2,1-3H3
InChIKeyYYTFJZCITMURET-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-chloro-1-(3-ethylthiophen-2-yl)propan-2-yl]pyridine
CID 79975626
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
1-(5-iodothiophen-3-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79692893
1-(4-iodophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446199
1-(4-fluorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66447962
1-(4-methylsulfanylphenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 79213623
1-(2,6-dichlorophenyl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448152
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
N-[2-cyclopropyl-1-(3-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 104986473
N-ethyl-1-(3-ethylthiophen-2-yl)-2-methylpentan-1-amine
CID 107893684
[1-(3-ethylthiophen-2-yl)-2-methylpentyl]hydrazine
CID 107895882
N-[(3-ethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032074

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine (CID 79975032) is 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine is CCCNC(c1sccc1CC)C(C)c1ccncc1.
What is the InChIKey of 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
The InChIKey is YYTFJZCITMURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-4-9-19-16(17-14(5-2)8-12-20-17)13(3)15-6-10-18-11-7-15/h6-8,10-13,16,19H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine?
1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 79975032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).