N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

C14H19F3N2O — CID 64501049

IUPACN-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCCC1CCC(Nc2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C14H19F3N2O/c1-2-10-3-4-11(7-10)19-12-5-6-13(18-8-12)20-9-14(15,16)17/h5-6,8,10-11,19H,2-4,7,9H2,1H3
InChIKeyAYSSWESSWBDGMW-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.01
Rot. Bonds5

About N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine

N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 64501049) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID64501049
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCCC1CCC(Nc2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C14H19F3N2O/c1-2-10-3-4-11(7-10)19-12-5-6-13(18-8-12)20-9-14(15,16)17/h5-6,8,10-11,19H,2-4,7,9H2,1H3
InChIKeyAYSSWESSWBDGMW-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-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-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 64501049) is N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CCC1CCC(Nc2ccc(OCC(F)(F)F)nc2)C1.
What is the InChIKey of N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is AYSSWESSWBDGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-10-3-4-11(7-10)19-12-5-6-13(18-8-12)20-9-14(15,16)17/h5-6,8,10-11,19H,2-4,7,9H2,1H3.
What are the key properties of N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 288.31 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 64501049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).