6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine

C14H20F3N3 — CID 102718072

IUPAC6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC1CCCCC1N(C)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H20F3N3/c1-9-5-3-4-6-11(9)20(2)13-8-10(14(15,16)17)7-12(18)19-13/h7-9,11H,3-6H2,1-2H3,(H2,18,19)
InChIKeyMJSTZDBFFSJWMP-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.70
Rot. Bonds2

About 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718072) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718072
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCC1CCCCC1N(C)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C14H20F3N3/c1-9-5-3-4-6-11(9)20(2)13-8-10(14(15,16)17)7-12(18)19-13/h7-9,11H,3-6H2,1-2H3,(H2,18,19)
InChIKeyMJSTZDBFFSJWMP-UHFFFAOYSA-N
XLogP3.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718072) is 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CC1CCCCC1N(C)c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is MJSTZDBFFSJWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c1-9-5-3-4-6-11(9)20(2)13-8-10(14(15,16)17)7-12(18)19-13/h7-9,11H,3-6H2,1-2H3,(H2,18,19).
What are the key properties of 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 287.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(2-methylcyclohexyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).