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

C13H17F3N2O — CID 55030411

IUPACN-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCC2CCCC2)cn1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-19-12-6-5-11(8-18-12)17-7-10-3-1-2-4-10/h5-6,8,10,17H,1-4,7,9H2
InChIKeyXYHYRMZVECSEFT-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.62
Rot. Bonds5

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

N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 55030411) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID55030411
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESFC(F)(F)COc1ccc(NCC2CCCC2)cn1
InChIInChI=1S/C13H17F3N2O/c14-13(15,16)9-19-12-6-5-11(8-18-12)17-7-10-3-1-2-4-10/h5-6,8,10,17H,1-4,7,9H2
InChIKeyXYHYRMZVECSEFT-UHFFFAOYSA-N
XLogP3.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 55030411) is N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is FC(F)(F)COc1ccc(NCC2CCCC2)cn1.
What is the InChIKey of N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is XYHYRMZVECSEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c14-13(15,16)9-19-12-6-5-11(8-18-12)17-7-10-3-1-2-4-10/h5-6,8,10,17H,1-4,7,9H2.
What are the key properties of N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 55030411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).