N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

C12H18F3N3 — CID 113379346

IUPACN-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCN(CC(F)(F)F)c1cc(CNC)cc(C)n1
InChIInChI=1S/C12H18F3N3/c1-4-18(8-12(13,14)15)11-6-10(7-16-3)5-9(2)17-11/h5-6,16H,4,7-8H2,1-3H3
InChIKeyWAFKPFQHMODZGF-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.50
Rot. Bonds5

About N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine

N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (PubChem CID 113379346) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
PubChem CID113379346
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine
SMILESCCN(CC(F)(F)F)c1cc(CNC)cc(C)n1
InChIInChI=1S/C12H18F3N3/c1-4-18(8-12(13,14)15)11-6-10(7-16-3)5-9(2)17-11/h5-6,16H,4,7-8H2,1-3H3
InChIKeyWAFKPFQHMODZGF-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine (CID 113379346) is N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is CCN(CC(F)(F)F)c1cc(CNC)cc(C)n1.
What is the InChIKey of N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
The InChIKey is WAFKPFQHMODZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-4-18(8-12(13,14)15)11-6-10(7-16-3)5-9(2)17-11/h5-6,16H,4,7-8H2,1-3H3.
What are the key properties of N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine?
N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine is sourced from PubChem (CID 113379346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).