N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine

C14H19F3N2O — CID 133439472

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2ncccc2C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C14H19F3N2O/c1-12(2)8-10(13(3,4)20-12)19-11-9(14(15,16)17)6-5-7-18-11/h5-7,10H,8H2,1-4H3,(H,18,19)
InChIKeySBFYLUPOLAGWCL-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.86
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine

N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 133439472) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID133439472
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2ncccc2C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C14H19F3N2O/c1-12(2)8-10(13(3,4)20-12)19-11-9(14(15,16)17)6-5-7-18-11/h5-7,10H,8H2,1-4H3,(H,18,19)
InChIKeySBFYLUPOLAGWCL-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxy-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)pyridin-2-amine
CID 103742782
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 62397155
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
CID 133439384
3-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyrazine-2-carbonitrile
CID 133439566
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
N-(2,2-dimethylcyclopropyl)-3-fluoropyridin-2-amine
CID 62733054
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 103704298
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 133439270
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
2,2,5,5-tetramethyl-N-(quinolin-8-ylmethyl)oxolan-3-amine
CID 81333756
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
N-(1,3-dimethylpiperidin-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 115770250

Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 133439472) is N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine is CC1(C)CC(Nc2ncccc2C(F)(F)F)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SBFYLUPOLAGWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-12(2)8-10(13(3,4)20-12)19-11-9(14(15,16)17)6-5-7-18-11/h5-7,10H,8H2,1-4H3,(H,18,19).
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine?
N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 288.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133439472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).