N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine

C13H17F3N2O — CID 82811776

IUPACN-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C13H17F3N2O/c1-12(2)7-9(5-6-19-12)18-10-3-4-11(17-8-10)13(14,15)16/h3-4,8-9,18H,5-7H2,1-2H3
InChIKeyZJWUDXFFRNDCOT-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.47
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine

N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 82811776) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
PubChem CID82811776
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc(C(F)(F)F)nc2)CCO1
InChIInChI=1S/C13H17F3N2O/c1-12(2)7-9(5-6-19-12)18-10-3-4-11(17-8-10)13(14,15)16/h3-4,8-9,18H,5-7H2,1-2H3
InChIKeyZJWUDXFFRNDCOT-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxaspiro[4.5]decan-8-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82794364
5-[(2,2-dimethyloxan-4-yl)amino]pyridine-2-carboxylic acid
CID 83040507
6-(trifluoromethyl)-N-(3,3,5-trimethylcyclohexyl)pyridin-3-amine
CID 82811681
2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
CID 112634249
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
N-(2,2-dimethyloxan-4-yl)pyridin-4-amine
CID 83028490
N-(2,6-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 82812384
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
N-(3-methoxycyclobutyl)-6-(trifluoromethyl)pyridin-3-amine
CID 106821586
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095
N-(2,2-dimethyloxan-4-yl)-1-methylpyrazol-4-amine;2,2,2-trifluoroacetic acid
CID 155225215
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine (CID 82811776) is N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine is CC1(C)CC(Nc2ccc(C(F)(F)F)nc2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is ZJWUDXFFRNDCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(2)7-9(5-6-19-12)18-10-3-4-11(17-8-10)13(14,15)16/h3-4,8-9,18H,5-7H2,1-2H3.
What are the key properties of N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine?
N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 274.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 82811776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).