1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine

C14H18N2S — CID 107586221

IUPAC1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2cncc(C)c2)s1
InChIInChI=1S/C14H18N2S/c1-3-4-12(15)14-6-5-13(17-14)11-7-10(2)8-16-9-11/h5-9,12H,3-4,15H2,1-2H3
InChIKeyNFBRAFGZQHKRLY-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.92
Rot. Bonds4

About 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine

1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine (PubChem CID 107586221) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
PubChem CID107586221
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
SMILESCCCC(N)c1ccc(-c2cncc(C)c2)s1
InChIInChI=1S/C14H18N2S/c1-3-4-12(15)14-6-5-13(17-14)11-7-10(2)8-16-9-11/h5-9,12H,3-4,15H2,1-2H3
InChIKeyNFBRAFGZQHKRLY-UHFFFAOYSA-N
XLogP3.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]ethanamine
CID 107586222
1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
CID 70832725
N-ethyl-1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586232
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]-N-propylpropan-1-amine
CID 107586228
1-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]butan-1-amine
CID 62811684
1-[5-(2-fluoro-5-methylphenyl)thiophen-2-yl]butan-1-amine
CID 43154475
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 65491239
1-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]butan-1-amine
CID 115564753
5-(5-methyl-3-pyridinyl)thiophene-2-carbaldehyde
CID 107586185
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
5-(5-methyl-3-pyridinyl)-1,3-thiazol-2-amine
CID 115375039
cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
The IUPAC name of 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine (CID 107586221) is 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine.
What is the SMILES notation for 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
The canonical SMILES for 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine is CCCC(N)c1ccc(-c2cncc(C)c2)s1.
What is the InChIKey of 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
The InChIKey is NFBRAFGZQHKRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-4-12(15)14-6-5-13(17-14)11-7-10(2)8-16-9-11/h5-9,12H,3-4,15H2,1-2H3.
What are the key properties of 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine?
1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine is sourced from PubChem (CID 107586221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).