1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine

C17H24N2S — CID 61473343

IUPAC1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
SMILESCc1cc(C)c(C(C)NC(C)Cc2ccsc2)c(C)n1
InChIInChI=1S/C17H24N2S/c1-11-8-12(2)18-14(4)17(11)15(5)19-13(3)9-16-6-7-20-10-16/h6-8,10,13,15,19H,9H2,1-5H3
InChIKeyRADJEQWAHDKGMU-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.35
Rot. Bonds5

About 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine

1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine (PubChem CID 61473343) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
PubChem CID61473343
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
SMILESCc1cc(C)c(C(C)NC(C)Cc2ccsc2)c(C)n1
InChIInChI=1S/C17H24N2S/c1-11-8-12(2)18-14(4)17(11)15(5)19-13(3)9-16-6-7-20-10-16/h6-8,10,13,15,19H,9H2,1-5H3
InChIKeyRADJEQWAHDKGMU-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methylpyrazin-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 102612502
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 54953076
1-methoxy-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine
CID 43758417
2-[1-(2,4,6-trimethyl-3-pyridinyl)ethylamino]propane-1,3-diol
CID 65310372
5-methyl-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 61473528
N-(1-pyridin-4-ylethyl)-1-thiophen-3-ylpropan-2-amine
CID 54952734
4-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]benzonitrile
CID 61473442
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
N-[1-(1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 64990673
2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine?
The IUPAC name of 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine (CID 61473343) is 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine?
The canonical SMILES for 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine is Cc1cc(C)c(C(C)NC(C)Cc2ccsc2)c(C)n1.
What is the InChIKey of 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine?
The InChIKey is RADJEQWAHDKGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-11-8-12(2)18-14(4)17(11)15(5)19-13(3)9-16-6-7-20-10-16/h6-8,10,13,15,19H,9H2,1-5H3.
What are the key properties of 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine?
1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine has a molecular weight of 288.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-N-[1-(2,4,6-trimethyl-3-pyridinyl)ethyl]propan-2-amine is sourced from PubChem (CID 61473343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).