4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine

C11H16F3N3 — CID 55075177

IUPAC4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
SMILESCCCN(Cc1ccnc(N)c1)CC(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-2-5-17(8-11(12,13)14)7-9-3-4-16-10(15)6-9/h3-4,6H,2,5,7-8H2,1H3,(H2,15,16)
InChIKeyPDLMILMAPWQHMH-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.44
Rot. Bonds5

About 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine

4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine (PubChem CID 55075177) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
PubChem CID55075177
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine
SMILESCCCN(Cc1ccnc(N)c1)CC(F)(F)F
InChIInChI=1S/C11H16F3N3/c1-2-5-17(8-11(12,13)14)7-9-3-4-16-10(15)6-9/h3-4,6H,2,5,7-8H2,1H3,(H2,15,16)
InChIKeyPDLMILMAPWQHMH-UHFFFAOYSA-N
XLogP2.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine (CID 55075177) is 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine is CCCN(Cc1ccnc(N)c1)CC(F)(F)F.
What is the InChIKey of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine?
The InChIKey is PDLMILMAPWQHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-5-17(8-11(12,13)14)7-9-3-4-16-10(15)6-9/h3-4,6H,2,5,7-8H2,1H3,(H2,15,16).
What are the key properties of 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine?
4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 55075177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).