6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine

C16H23N3S — CID 79243725

IUPAC6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)C(C)c2cccs2)n1
InChIInChI=1S/C16H23N3S/c1-4-10-17-16-9-5-7-14(18-16)12-19(3)13(2)15-8-6-11-20-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,17,18)
InChIKeyTUVFOHWRIXXNMB-UHFFFAOYSA-N
MW289.45 g/mol
LogP4.16
Rot. Bonds7

About 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine

6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 79243725) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID79243725
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)C(C)c2cccs2)n1
InChIInChI=1S/C16H23N3S/c1-4-10-17-16-9-5-7-14(18-16)12-19(3)13(2)15-8-6-11-20-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,17,18)
InChIKeyTUVFOHWRIXXNMB-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
6-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]-N-propylpyridin-2-amine
CID 112664312
6-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243172
6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243620
6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212
2-ethyl-N,2-dimethyl-N'-propyl-N-(1-thiophen-2-ylethyl)propane-1,3-diamine
CID 62257313
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
CID 79243775
2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
CID 79230668
N-ethyl-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]pyridin-2-amine
CID 79243357
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine (CID 79243725) is 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN(C)C(C)c2cccs2)n1.
What is the InChIKey of 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is TUVFOHWRIXXNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-4-10-17-16-9-5-7-14(18-16)12-19(3)13(2)15-8-6-11-20-15/h5-9,11,13H,4,10,12H2,1-3H3,(H,17,18).
What are the key properties of 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine?
6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 289.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(1-thiophen-2-ylethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79243725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).