N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

C12H14F3N3 — CID 114694665

IUPACN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCC2=CCNCC2)n1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)10-2-1-3-11(18-10)17-8-9-4-6-16-7-5-9/h1-4,16H,5-8H2,(H,17,18)
InChIKeySCHAWTUEZDYVGG-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.43
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine

N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 114694665) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID114694665
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC NameN-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccc(NCC2=CCNCC2)n1
InChIInChI=1S/C12H14F3N3/c13-12(14,15)10-2-1-3-11(18-10)17-8-9-4-6-16-7-5-9/h1-4,16H,5-8H2,(H,17,18)
InChIKeySCHAWTUEZDYVGG-UHFFFAOYSA-N
XLogP2.43
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine (CID 114694665) is N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccc(NCC2=CCNCC2)n1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SCHAWTUEZDYVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c13-12(14,15)10-2-1-3-11(18-10)17-8-9-4-6-16-7-5-9/h1-4,16H,5-8H2,(H,17,18).
What are the key properties of N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine?
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 257.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 114694665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).