4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine

C11H16F3N3 — CID 106747145

IUPAC4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCCC(C)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3/c1-3-4-7(2)17-9-5-10(11(12,13)14)16-6-8(9)15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyLLQCSYVVTKMWEI-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.28
Rot. Bonds4

About 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine

4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine (PubChem CID 106747145) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
PubChem CID106747145
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
SMILESCCCC(C)Nc1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C11H16F3N3/c1-3-4-7(2)17-9-5-10(11(12,13)14)16-6-8(9)15/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyLLQCSYVVTKMWEI-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-2-ol
CID 106748001
3-[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]pentan-1-ol
CID 106748077
4-N-[1-(furan-2-yl)propan-2-yl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747446
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705
4-N-[1-(4-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747467
4-N-(2-ethoxypropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106748056
4-(2-methylpentoxy)-6-(trifluoromethyl)pyridin-3-amine
CID 106748590
4-N-[1-(furan-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747303
4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106387726
4-N-[2-[methyl(propan-2-yl)amino]ethyl]-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747673
4,5-dimethyl-2-N-pentan-2-ylbenzene-1,2-diamine
CID 107886633
4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
The IUPAC name of 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine (CID 106747145) is 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine is CCCC(C)Nc1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
The InChIKey is LLQCSYVVTKMWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-3-4-7(2)17-9-5-10(11(12,13)14)16-6-8(9)15/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine?
4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine has a molecular weight of 247.26 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine is sourced from PubChem (CID 106747145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).