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

C13H18F3N3 — CID 102719321

IUPAC6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCC1(Nc2cc(C(F)(F)F)cc(NC)n2)CCC1
InChIInChI=1S/C13H18F3N3/c1-3-12(5-4-6-12)19-11-8-9(13(14,15)16)7-10(17-2)18-11/h7-8H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyGROBFTXOPZDWPP-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.89
Rot. Bonds4

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

6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102719321) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102719321
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESCCC1(Nc2cc(C(F)(F)F)cc(NC)n2)CCC1
InChIInChI=1S/C13H18F3N3/c1-3-12(5-4-6-12)19-11-8-9(13(14,15)16)7-10(17-2)18-11/h7-8H,3-6H2,1-2H3,(H2,17,18,19)
InChIKeyGROBFTXOPZDWPP-UHFFFAOYSA-N
XLogP3.89
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102719321) is 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is CCC1(Nc2cc(C(F)(F)F)cc(NC)n2)CCC1.
What is the InChIKey of 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is GROBFTXOPZDWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c1-3-12(5-4-6-12)19-11-8-9(13(14,15)16)7-10(17-2)18-11/h7-8H,3-6H2,1-2H3,(H2,17,18,19).
What are the key properties of 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 273.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-ethylcyclobutyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102719321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).