6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine

C12H18F3N3 — CID 79243620

IUPAC6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)CC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-3-7-16-11-6-4-5-10(17-11)8-18(2)9-12(13,14)15/h4-6H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyJUTJAQJZCGJBIW-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.90
Rot. Bonds6

About 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine

6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine (PubChem CID 79243620) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
PubChem CID79243620
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CN(C)CC(F)(F)F)n1
InChIInChI=1S/C12H18F3N3/c1-3-7-16-11-6-4-5-10(17-11)8-18(2)9-12(13,14)15/h4-6H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyJUTJAQJZCGJBIW-UHFFFAOYSA-N
XLogP2.90
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine (CID 79243620) is 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine is CCCNc1cccc(CN(C)CC(F)(F)F)n1.
What is the InChIKey of 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine?
The InChIKey is JUTJAQJZCGJBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-3-7-16-11-6-4-5-10(17-11)8-18(2)9-12(13,14)15/h4-6H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine?
6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79243620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).