N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine

C15H21F3N2O — CID 82795220

IUPACN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1(C)CC
InChIInChI=1S/C15H21F3N2O/c1-4-14(3)12(8-13(14)21-5-2)20-10-6-7-11(19-9-10)15(16,17)18/h6-7,9,12-13,20H,4-5,8H2,1-3H3
InChIKeyHEBQADCFQRRHNQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.11
Rot. Bonds5

About N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82795220) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82795220
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1(C)CC
InChIInChI=1S/C15H21F3N2O/c1-4-14(3)12(8-13(14)21-5-2)20-10-6-7-11(19-9-10)15(16,17)18/h6-7,9,12-13,20H,4-5,8H2,1-3H3
InChIKeyHEBQADCFQRRHNQ-UHFFFAOYSA-N
XLogP4.11
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.11
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-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine (CID 82795220) is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine is CCOC1CC(Nc2ccc(C(F)(F)F)nc2)C1(C)CC.
What is the InChIKey of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is HEBQADCFQRRHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-4-14(3)12(8-13(14)21-5-2)20-10-6-7-11(19-9-10)15(16,17)18/h6-7,9,12-13,20H,4-5,8H2,1-3H3.
What are the key properties of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine?
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 302.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82795220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).