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

C11H16F3N3O — CID 102717821

IUPAC6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCN(CCOC)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H16F3N3O/c1-3-17(4-5-18-2)10-7-8(11(12,13)14)6-9(15)16-10/h6-7H,3-5H2,1-2H3,(H2,15,16)
InChIKeyQHXWBCWLQYEUOJ-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.16
Rot. Bonds5

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

6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102717821) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102717821
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCN(CCOC)c1cc(C(F)(F)F)cc(N)n1
InChIInChI=1S/C11H16F3N3O/c1-3-17(4-5-18-2)10-7-8(11(12,13)14)6-9(15)16-10/h6-7H,3-5H2,1-2H3,(H2,15,16)
InChIKeyQHXWBCWLQYEUOJ-UHFFFAOYSA-N
XLogP2.16
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102717821) is 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is CCN(CCOC)c1cc(C(F)(F)F)cc(N)n1.
What is the InChIKey of 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is QHXWBCWLQYEUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-17(4-5-18-2)10-7-8(11(12,13)14)6-9(15)16-10/h6-7H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 263.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(2-methoxyethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102717821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).