6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

C12H16F3N3 — CID 102717537

IUPAC6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC(C)C2CC2)n1
InChIInChI=1S/C12H16F3N3/c1-7(8-3-4-8)17-11-6-9(12(13,14)15)5-10(16-2)18-11/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKNJKCNDNEYACED-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.35
Rot. Bonds4

About 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine

6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717537) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717537
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1cc(C(F)(F)F)cc(NC(C)C2CC2)n1
InChIInChI=1S/C12H16F3N3/c1-7(8-3-4-8)17-11-6-9(12(13,14)15)5-10(16-2)18-11/h5-8H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyKNJKCNDNEYACED-UHFFFAOYSA-N
XLogP3.35
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717537) is 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CNc1cc(C(F)(F)F)cc(NC(C)C2CC2)n1.
What is the InChIKey of 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is KNJKCNDNEYACED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-7(8-3-4-8)17-11-6-9(12(13,14)15)5-10(16-2)18-11/h5-8H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 259.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).