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

C14H19F3N2O — CID 80693595

IUPACN-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC1(C)CCC(Nc2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C14H19F3N2O/c1-13(2)6-5-10(7-13)19-11-3-4-12(18-8-11)20-9-14(15,16)17/h3-4,8,10,19H,5-7,9H2,1-2H3
InChIKeyWHZHMWHZJNUQRR-UHFFFAOYSA-N
MW288.31 g/mol
LogP4.01
Rot. Bonds4

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

N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (PubChem CID 80693595) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
PubChem CID80693595
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
SMILESCC1(C)CCC(Nc2ccc(OCC(F)(F)F)nc2)C1
InChIInChI=1S/C14H19F3N2O/c1-13(2)6-5-10(7-13)19-11-3-4-12(18-8-11)20-9-14(15,16)17/h3-4,8,10,19H,5-7,9H2,1-2H3
InChIKeyWHZHMWHZJNUQRR-UHFFFAOYSA-N
XLogP4.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine (CID 80693595) is N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is CC1(C)CCC(Nc2ccc(OCC(F)(F)F)nc2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
The InChIKey is WHZHMWHZJNUQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-13(2)6-5-10(7-13)19-11-3-4-12(18-8-11)20-9-14(15,16)17/h3-4,8,10,19H,5-7,9H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine?
N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine has a molecular weight of 288.31 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine is sourced from PubChem (CID 80693595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).