N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine

C13H16N2S — CID 62089117

IUPACN-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
SMILESCC(NCCc1ccncc1)c1ccsc1
InChIInChI=1S/C13H16N2S/c1-11(13-5-9-16-10-13)15-8-4-12-2-6-14-7-3-12/h2-3,5-7,9-11,15H,4,8H2,1H3
InChIKeyBKZJHVDXYIORRX-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.04
Rot. Bonds5

About N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine

N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine (PubChem CID 62089117) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
PubChem CID62089117
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC NameN-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
SMILESCC(NCCc1ccncc1)c1ccsc1
InChIInChI=1S/C13H16N2S/c1-11(13-5-9-16-10-13)15-8-4-12-2-6-14-7-3-12/h2-3,5-7,9-11,15H,4,8H2,1H3
InChIKeyBKZJHVDXYIORRX-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylsulfanylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54943643
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
1-(4-butylphenyl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60903436
4-[1-(2-thiophen-3-ylethylamino)ethyl]phenol
CID 54953254
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine
CID 115895032
N-(2-pyridin-4-ylethyl)thiophen-3-amine
CID 66351702
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine?
The IUPAC name of N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine (CID 62089117) is N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine is CC(NCCc1ccncc1)c1ccsc1.
What is the InChIKey of N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine?
The InChIKey is BKZJHVDXYIORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-11(13-5-9-16-10-13)15-8-4-12-2-6-14-7-3-12/h2-3,5-7,9-11,15H,4,8H2,1H3.
What are the key properties of N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine?
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine has a molecular weight of 232.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 62089117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).