6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine

C13H21F3N4 — CID 102717913

IUPAC6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC(C)C(CN(C)C)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H21F3N4/c1-8(2)10(7-20(3)4)18-12-6-9(13(14,15)16)5-11(17)19-12/h5-6,8,10H,7H2,1-4H3,(H3,17,18,19)
InChIKeyUGDABEPXSZVXPI-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.68
Rot. Bonds5

About 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717913) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717913
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC(C)C(CN(C)C)Nc1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C13H21F3N4/c1-8(2)10(7-20(3)4)18-12-6-9(13(14,15)16)5-11(17)19-12/h5-6,8,10H,7H2,1-4H3,(H3,17,18,19)
InChIKeyUGDABEPXSZVXPI-UHFFFAOYSA-N
XLogP2.68
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
6-N-propan-2-yl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717244
1-N,1-N,3-trimethyl-2-N-[5-(trifluoromethyl)-2-pyridinyl]butane-1,2-diamine
CID 61479974
6-N-[1-(dimethylamino)propan-2-yl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719072
4-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 102718936
6-N-(1-methylsulfanylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719346
6-N-[1-(5-methylfuran-2-yl)ethyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717909
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]amino]-N-propan-2-ylpropanamide
CID 102719169
3-[[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentan-1-ol
CID 106358437
6-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718227
6-N-(1-cyclopropylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718593
6-N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717521

Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717913) is 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine is CC(C)C(CN(C)C)Nc1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is UGDABEPXSZVXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-8(2)10(7-20(3)4)18-12-6-9(13(14,15)16)5-11(17)19-12/h5-6,8,10H,7H2,1-4H3,(H3,17,18,19).
What are the key properties of 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).