2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

C13H19F3N4 — CID 79877396

IUPAC2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC(C)(C)C
InChIInChI=1S/C13H19F3N4/c1-12(2,3)7-20(4)11-8(10(17)18)5-6-9(19-11)13(14,15)16/h5-6H,7H2,1-4H3,(H3,17,18)
InChIKeyLKPGGAPDDCUXEZ-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.87
Rot. Bonds3

About 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877396) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877396
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC(C)(C)C
InChIInChI=1S/C13H19F3N4/c1-12(2,3)7-20(4)11-8(10(17)18)5-6-9(19-11)13(14,15)16/h5-6H,7H2,1-4H3,(H3,17,18)
InChIKeyLKPGGAPDDCUXEZ-UHFFFAOYSA-N
XLogP2.87
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875005
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875010
2-[2-hydroxyethyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877260
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400
2-[3-hydroxypropyl(propan-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874812
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875830
2-(2-propoxyethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877333
2-(3-methylbutylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750158
2-(1-methoxypropan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877401
2-(3-methylbutan-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 107750057

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877396) is 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC(C)(C)C.
What is the InChIKey of 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is LKPGGAPDDCUXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-12(2,3)7-20(4)11-8(10(17)18)5-6-9(19-11)13(14,15)16/h5-6H,7H2,1-4H3,(H3,17,18).
What are the key properties of 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 288.32 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).