1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine

C13H16N2S — CID 70832725

IUPAC1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
SMILESCCCC(N)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C13H16N2S/c1-2-4-11(14)13-7-6-12(16-13)10-5-3-8-15-9-10/h3,5-9,11H,2,4,14H2,1H3
InChIKeyGUWMWMFZCALSQZ-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.61
Rot. Bonds4

About 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine

1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine (PubChem CID 70832725) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
PubChem CID70832725
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine
SMILESCCCC(N)c1ccc(-c2cccnc2)s1
InChIInChI=1S/C13H16N2S/c1-2-4-11(14)13-7-6-12(16-13)10-5-3-8-15-9-10/h3,5-9,11H,2,4,14H2,1H3
InChIKeyGUWMWMFZCALSQZ-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]butan-1-amine
CID 107586221
1-[5-(3,4,5-trifluorophenyl)thiophen-2-yl]butan-1-amine
CID 62811684
N-ethyl-2-methyl-1-(5-pyridin-3-ylthiophen-2-yl)propan-1-amine
CID 107586196
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
3-[5-[5-[5-(5-pyridin-3-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyridine
CID 102393188
3-(5-hexylthiophen-2-yl)pyridine
CID 122397866
1-[5-(5-chloroquinolin-8-yl)thiophen-2-yl]butan-1-amine
CID 116785261
1-[5-[4-chloro-3-(trifluoromethyl)phenyl]thiophen-2-yl]butan-1-amine
CID 43154441
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
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
1-(5-phenylthiophen-2-yl)ethane-1,2-diamine
CID 170894587

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine?
The IUPAC name of 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine (CID 70832725) is 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine.
What is the SMILES notation for 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine?
The canonical SMILES for 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine is CCCC(N)c1ccc(-c2cccnc2)s1.
What is the InChIKey of 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine?
The InChIKey is GUWMWMFZCALSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-2-4-11(14)13-7-6-12(16-13)10-5-3-8-15-9-10/h3,5-9,11H,2,4,14H2,1H3.
What are the key properties of 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine?
1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine has a molecular weight of 232.35 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-ylthiophen-2-yl)butan-1-amine is sourced from PubChem (CID 70832725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).