2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

C14H22F3N3S — CID 102719135

IUPAC2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(N(C)C(CC)CSC)n1
InChIInChI=1S/C14H22F3N3S/c1-5-11(9-21-4)20(3)13-8-10(14(15,16)17)7-12(19-13)18-6-2/h7-8,11H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyJEADSMINJQKUII-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.11
Rot. Bonds7

About 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine

2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719135) has the molecular formula C14H22F3N3S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719135
Molecular FormulaC14H22F3N3S
Molecular Weight321.41 g/mol
Exact Mass321.15
IUPAC Name2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCNc1cc(C(F)(F)F)cc(N(C)C(CC)CSC)n1
InChIInChI=1S/C14H22F3N3S/c1-5-11(9-21-4)20(3)13-8-10(14(15,16)17)7-12(19-13)18-6-2/h7-8,11H,5-6,9H2,1-4H3,(H,18,19)
InChIKeyJEADSMINJQKUII-UHFFFAOYSA-N
XLogP4.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

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Related Compounds

2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-1-ol
CID 102719208
4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772794
1-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-2-methylpropan-2-ol
CID 102718868
2-N-ethyl-6-N-(2-methylpropyl)-6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718062
6-N-cyclopropyl-2-N,6-N-diethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717403
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717450
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287
N-ethyl-5-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]pyrazin-2-amine
CID 103056808
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
4-N,6-N-dimethyl-4-N-pentan-3-yl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770867

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719135) is 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCNc1cc(C(F)(F)F)cc(N(C)C(CC)CSC)n1.
What is the InChIKey of 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is JEADSMINJQKUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3S/c1-5-11(9-21-4)20(3)13-8-10(14(15,16)17)7-12(19-13)18-6-2/h7-8,11H,5-6,9H2,1-4H3,(H,18,19).
What are the key properties of 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine?
2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 321.41 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-methyl-6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).