4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine

C15H26FN3S — CID 105387499

IUPAC4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine
SMILESCCSCC(C)Nc1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C15H26FN3S/c1-6-20-10-11(2)19-14-13(16)12(7-8-17-14)9-18-15(3,4)5/h7-8,11,18H,6,9-10H2,1-5H3,(H,17,19)
InChIKeyYAGPGMFVCYTKGK-UHFFFAOYSA-N
MW299.46 g/mol
LogP3.66
Rot. Bonds7

About 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine

4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine (PubChem CID 105387499) has the molecular formula C15H26FN3S and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine
PubChem CID105387499
Molecular FormulaC15H26FN3S
Molecular Weight299.46 g/mol
Exact Mass299.18
IUPAC Name4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine
SMILESCCSCC(C)Nc1nccc(CNC(C)(C)C)c1F
InChIInChI=1S/C15H26FN3S/c1-6-20-10-11(2)19-14-13(16)12(7-8-17-14)9-18-15(3,4)5/h7-8,11,18H,6,9-10H2,1-5H3,(H,17,19)
InChIKeyYAGPGMFVCYTKGK-UHFFFAOYSA-N
XLogP3.66
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 105386429
4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 105384550
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
CID 105387168
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide
CID 105384966
4-[(tert-butylamino)methyl]-3-fluoro-N-propan-2-yl-N-propylpyridin-2-amine
CID 105384781
4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 105385700
4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one
CID 106197832
4-(ethylaminomethyl)-3-fluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102915247
4-[(tert-butylamino)methyl]-N-ethyl-3-fluoro-N-propylpyridin-2-amine
CID 105384745
4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine
CID 105390366
N-(1-ethylsulfanylpropan-2-yl)-3-methylquinoxalin-2-amine
CID 113499154

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine (CID 105387499) is 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine is CCSCC(C)Nc1nccc(CNC(C)(C)C)c1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine?
The InChIKey is YAGPGMFVCYTKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3S/c1-6-20-10-11(2)19-14-13(16)12(7-8-17-14)9-18-15(3,4)5/h7-8,11,18H,6,9-10H2,1-5H3,(H,17,19).
What are the key properties of 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine?
4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine has a molecular weight of 299.46 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105387499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).