N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine

C12H15F3N2O — CID 114072659

IUPACN-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
SMILESCC1(C)CC(Nc2nc(F)c(F)cc2F)CCO1
InChIInChI=1S/C12H15F3N2O/c1-12(2)6-7(3-4-18-12)16-11-9(14)5-8(13)10(15)17-11/h5,7H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyPDYVDTITHCZRAW-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.87
Rot. Bonds2

About N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine

N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine (PubChem CID 114072659) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
PubChem CID114072659
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine
SMILESCC1(C)CC(Nc2nc(F)c(F)cc2F)CCO1
InChIInChI=1S/C12H15F3N2O/c1-12(2)6-7(3-4-18-12)16-11-9(14)5-8(13)10(15)17-11/h5,7H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyPDYVDTITHCZRAW-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,2-dimethyloxan-4-yl)-3-fluoropyridin-2-amine
CID 104925033
3-chloro-N-(2,2-dimethyloxan-4-yl)-5,6-dimethylpyrazin-2-amine
CID 83029129
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
N-(2-bromo-6-fluorophenyl)-2,2-dimethyloxan-4-amine
CID 107598228
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
6-chloro-N-(2,2-dimethyloxan-4-yl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768215
2-N-(2,2-dimethyloxan-4-yl)-5-methylpyridine-2,3-diamine
CID 83027015
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900
2-N-(2,2-dimethyloxan-4-yl)pyrazine-2,5-diamine
CID 83040320
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107545039

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine (CID 114072659) is N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine is CC1(C)CC(Nc2nc(F)c(F)cc2F)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine?
The InChIKey is PDYVDTITHCZRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-12(2)6-7(3-4-18-12)16-11-9(14)5-8(13)10(15)17-11/h5,7H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine?
N-(2,2-dimethyloxan-4-yl)-3,5,6-trifluoropyridin-2-amine has a molecular weight of 260.26 g/mol, XLogP of 2.87, 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)-3,5,6-trifluoropyridin-2-amine is sourced from PubChem (CID 114072659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).