6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

C12H18F3N3O — CID 55011153

IUPAC6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCN(CC(F)(F)F)c1ccc(N)c(OCC)n1
InChIInChI=1S/C12H18F3N3O/c1-3-7-18(8-12(13,14)15)10-6-5-9(16)11(17-10)19-4-2/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyPPCCBVZTNOJCRO-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.84
Rot. Bonds6

About 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine

6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (PubChem CID 55011153) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
PubChem CID55011153
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
SMILESCCCN(CC(F)(F)F)c1ccc(N)c(OCC)n1
InChIInChI=1S/C12H18F3N3O/c1-3-7-18(8-12(13,14)15)10-6-5-9(16)11(17-10)19-4-2/h5-6H,3-4,7-8,16H2,1-2H3
InChIKeyPPCCBVZTNOJCRO-UHFFFAOYSA-N
XLogP2.84
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The IUPAC name of 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine (CID 55011153) is 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The canonical SMILES for 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is CCCN(CC(F)(F)F)c1ccc(N)c(OCC)n1.
What is the InChIKey of 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
The InChIKey is PPCCBVZTNOJCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-7-18(8-12(13,14)15)10-6-5-9(16)11(17-10)19-4-2/h5-6H,3-4,7-8,16H2,1-2H3.
What are the key properties of 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine?
6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine has a molecular weight of 277.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine is sourced from PubChem (CID 55011153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).