N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine

C14H18N2S — CID 54952734

IUPACN-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1ccncc1
InChIInChI=1S/C14H18N2S/c1-11(9-13-5-8-17-10-13)16-12(2)14-3-6-15-7-4-14/h3-8,10-12,16H,9H2,1-2H3
InChIKeyWMAAIBLSPIJENT-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.42
Rot. Bonds5

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

N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine (PubChem CID 54952734) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
PubChem CID54952734
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)NC(C)c1ccncc1
InChIInChI=1S/C14H18N2S/c1-11(9-13-5-8-17-10-13)16-12(2)14-3-6-15-7-4-14/h3-8,10-12,16H,9H2,1-2H3
InChIKeyWMAAIBLSPIJENT-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]benzonitrile
CID 61473442
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473171
5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61473489
(2S)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propan-1-ol
CID 93082825
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473448
1-(4-fluorophenyl)-N-(1-thiophen-3-ylethyl)propan-2-amine
CID 63008178
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 61473343
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine (CID 54952734) is N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)NC(C)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is WMAAIBLSPIJENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11(9-13-5-8-17-10-13)16-12(2)14-3-6-15-7-4-14/h3-8,10-12,16H,9H2,1-2H3.
What are the key properties of N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine?
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 54952734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).