N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine

C15H21F3N2O — CID 82765031

IUPACN-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCC1(CC)CC(Nc2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C15H21F3N2O/c1-3-14(4-2)10-11(8-9-21-14)19-13-7-5-6-12(20-13)15(16,17)18/h5-7,11H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyGPQHNJGUERITIL-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.25
Rot. Bonds4

About N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine

N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 82765031) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine
PubChem CID82765031
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine
SMILESCCC1(CC)CC(Nc2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C15H21F3N2O/c1-3-14(4-2)10-11(8-9-21-14)19-13-7-5-6-12(20-13)15(16,17)18/h5-7,11H,3-4,8-10H2,1-2H3,(H,19,20)
InChIKeyGPQHNJGUERITIL-UHFFFAOYSA-N
XLogP4.25
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine (CID 82765031) is N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine is CCC1(CC)CC(Nc2cccc(C(F)(F)F)n2)CCO1.
What is the InChIKey of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GPQHNJGUERITIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-3-14(4-2)10-11(8-9-21-14)19-13-7-5-6-12(20-13)15(16,17)18/h5-7,11H,3-4,8-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine?
N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.34 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyloxan-4-yl)-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 82765031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).