N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine

C14H19F3N2O — CID 82811915

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1(C)C
InChIInChI=1S/C14H19F3N2O/c1-4-20-12-7-11(13(12,2)3)19-9-5-6-10(18-8-9)14(15,16)17/h5-6,8,11-12,19H,4,7H2,1-3H3
InChIKeyROAPONNONHORBK-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.72
Rot. Bonds4

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82811915) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82811915
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1(C)C
InChIInChI=1S/C14H19F3N2O/c1-4-20-12-7-11(13(12,2)3)19-9-5-6-10(18-8-9)14(15,16)17/h5-6,8,11-12,19H,4,7H2,1-3H3
InChIKeyROAPONNONHORBK-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine (CID 82811915) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine is CCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ROAPONNONHORBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-4-20-12-7-11(13(12,2)3)19-9-5-6-10(18-8-9)14(15,16)17/h5-6,8,11-12,19H,4,7H2,1-3H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 288.31 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82811915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).