6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine

C12H18F3N3 — CID 102717307

IUPAC6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCCNc1cc(C(F)(F)F)cc(NCC)n1
InChIInChI=1S/C12H18F3N3/c1-3-5-6-17-11-8-9(12(13,14)15)7-10(18-11)16-4-2/h7-8H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyZRZCUWJHXVOXKZ-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.74
Rot. Bonds6

About 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717307) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717307
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCCCNc1cc(C(F)(F)F)cc(NCC)n1
InChIInChI=1S/C12H18F3N3/c1-3-5-6-17-11-8-9(12(13,14)15)7-10(18-11)16-4-2/h7-8H,3-6H2,1-2H3,(H2,16,17,18)
InChIKeyZRZCUWJHXVOXKZ-UHFFFAOYSA-N
XLogP3.74
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-6-hydrazinyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720771
6-N-[2-(diethylamino)ethyl]-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717287
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770433
5-[[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 107324249
2-N-propyl-6-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717325
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349
2-N-ethyl-6-N-[2-(1,3-thiazol-4-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718549
N-ethyl-6-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)pyridin-2-amine
CID 102719643
6-N-(2-methylbutyl)-2-N-propyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718352
2-N-ethyl-6-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719235
6-N-(4-chlorophenyl)-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717083
2-N-ethyl-6-N-(1-methylcyclopentyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718695

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717307) is 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine is CCCCNc1cc(C(F)(F)F)cc(NCC)n1.
What is the InChIKey of 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is ZRZCUWJHXVOXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-3-5-6-17-11-8-9(12(13,14)15)7-10(18-11)16-4-2/h7-8H,3-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 261.29 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).