1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine

C16H22N2S — CID 102840351

IUPAC1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1ccsc1C
InChIInChI=1S/C16H22N2S/c1-3-9-18-16(15-8-12-19-13(15)2)5-4-14-6-10-17-11-7-14/h6-8,10-12,16,18H,3-5,9H2,1-2H3
InChIKeyNGUJIEIXFJKDPN-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.13
Rot. Bonds7

About 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine

1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine (PubChem CID 102840351) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
PubChem CID102840351
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
SMILESCCCNC(CCc1ccncc1)c1ccsc1C
InChIInChI=1S/C16H22N2S/c1-3-9-18-16(15-8-12-19-13(15)2)5-4-14-6-10-17-11-7-14/h6-8,10-12,16,18H,3-5,9H2,1-2H3
InChIKeyNGUJIEIXFJKDPN-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105166519
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-2-ylpropan-1-amine
CID 102841379
3-methylsulfanyl-1-(2-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 102840731
N-ethyl-3-(4-methylphenyl)-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102840839
3-methyl-1-(2-methylthiophen-3-yl)-N-propylpentan-1-amine
CID 102841960
1-(furan-2-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105146972
1-(3-fluoro-4-methylphenyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 107130013
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
N-ethyl-1-(2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105094779
1-(3-bromothiophen-2-yl)-N-propyl-3-pyridin-3-ylpropan-1-amine
CID 105173119
1-(5-methoxy-3-pyridinyl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105175318
1-(4-bromo-1-methylpyrazol-5-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine
CID 105189818

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine (CID 102840351) is 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine is CCCNC(CCc1ccncc1)c1ccsc1C.
What is the InChIKey of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
The InChIKey is NGUJIEIXFJKDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-3-9-18-16(15-8-12-19-13(15)2)5-4-14-6-10-17-11-7-14/h6-8,10-12,16,18H,3-5,9H2,1-2H3.
What are the key properties of 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine?
1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylthiophen-3-yl)-N-propyl-3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 102840351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).