N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

C12H17F3N2S — CID 113268493

IUPACN-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCSCCC(C)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2S/c1-3-18-8-7-9(2)16-11-6-4-5-10(17-11)12(13,14)15/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyAHABHOMNEGCSFP-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.04
Rot. Bonds6

About N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 113268493) has the molecular formula C12H17F3N2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID113268493
Molecular FormulaC12H17F3N2S
Molecular Weight278.34 g/mol
Exact Mass278.11
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCSCCC(C)Nc1cccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N2S/c1-3-18-8-7-9(2)16-11-6-4-5-10(17-11)12(13,14)15/h4-6,9H,3,7-8H2,1-2H3,(H,16,17)
InChIKeyAHABHOMNEGCSFP-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-2-pyridinyl)-N'-(2,2,2-trifluoroethyl)urea
CID 934768
N,6-dimethylpyridin-2-amine
CID 3839092
1-Cyclopentyl-3-(6-methylpyridin-2-yl)thiourea
CID 1959621
1-Cyclohexyl-3-(6-methylpyridin-2-yl)thiourea
CID 2987777
N-[(5S)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323541
N-[(5R)-5-(2-aminoethyl)-4,5-dihydro-1H-imidazol-2-yl]-6-methylpyridin-2-amine;hydrobromide
CID 53323539
1-Cyano-2-methyl-3-[2-(pyridin-2-ylmethylsulfanyl)ethyl]guanidine
CID 11776837
(R)-3-methyl-1-(6-methylpyridin-2-yl)piperazine
CID 45115807
4-Methylsulfanyl-3-[[6-(trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003461
3-[[6-(Trifluoromethyl)-2-pyridinyl]amino]butan-1-ol
CID 72003580
1-(6-methyl-2-pyridinyl)-N-(1-thiophen-2-ylethyl)piperidin-4-amine
CID 84587964
5-(iodomethyl)-N-(6-methyl-2-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine;hydroiodide
CID 127037394

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 113268493) is N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is CCSCCC(C)Nc1cccc(C(F)(F)F)n1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is AHABHOMNEGCSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2S/c1-3-18-8-7-9(2)16-11-6-4-5-10(17-11)12(13,14)15/h4-6,9H,3,7-8H2,1-2H3,(H,16,17).
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 278.34 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 113268493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).