1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine

C13H16N2S — CID 63840233

IUPAC1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1ccnc(C(N)CCc2cccs2)c1
InChIInChI=1S/C13H16N2S/c1-10-6-7-15-13(9-10)12(14)5-4-11-3-2-8-16-11/h2-3,6-9,12H,4-5,14H2,1H3
InChIKeyQVCAFOAKWHAWMO-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.08
Rot. Bonds4

About 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine

1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine (PubChem CID 63840233) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
PubChem CID63840233
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
SMILESCc1ccnc(C(N)CCc2cccs2)c1
InChIInChI=1S/C13H16N2S/c1-10-6-7-15-13(9-10)12(14)5-4-11-3-2-8-16-11/h2-3,6-9,12H,4-5,14H2,1H3
InChIKeyQVCAFOAKWHAWMO-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
1-(2-fluoro-5-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860775
1-(5-fluoro-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine
CID 79722432
1-thieno[3,2-b]pyridin-6-yl-3-thiophen-2-ylpropan-1-amine
CID 81144341
4,4-dimethyl-1-(4-methyl-2-pyridinyl)pentan-1-amine
CID 63840384
3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine
CID 55256777
1-(5-methylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861149
1-quinoxalin-5-yl-3-thiophen-2-ylpropan-1-amine
CID 105150148
1-(1,5-dimethylpyrazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150310
1-(2-phenyltriazol-4-yl)-3-thiophen-2-ylpropan-1-amine
CID 105150214
1-(5-ethylthiophen-2-yl)-3-thiophen-2-ylpropan-1-amine
CID 115861110
1-(4-methyl-2-pyridinyl)-2-thiophen-2-ylethanone
CID 63840069

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine (CID 63840233) is 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine is Cc1ccnc(C(N)CCc2cccs2)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
The InChIKey is QVCAFOAKWHAWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-10-6-7-15-13(9-10)12(14)5-4-11-3-2-8-16-11/h2-3,6-9,12H,4-5,14H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine?
1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 63840233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).