N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

C13H17F3N2O — CID 103743077

IUPACN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(CNc2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C13H17F3N2O/c1-12(5-7-19-8-6-12)9-17-11-4-2-3-10(18-11)13(14,15)16/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyWXBSKODSVVTCGH-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.33
Rot. Bonds3

About N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine

N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 103743077) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID103743077
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC NameN-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESCC1(CNc2cccc(C(F)(F)F)n2)CCOCC1
InChIInChI=1S/C13H17F3N2O/c1-12(5-7-19-8-6-12)9-17-11-4-2-3-10(18-11)13(14,15)16/h2-4H,5-9H2,1H3,(H,17,18)
InChIKeyWXBSKODSVVTCGH-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine (CID 103743077) is N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is CC1(CNc2cccc(C(F)(F)F)n2)CCOCC1.
What is the InChIKey of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WXBSKODSVVTCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-12(5-7-19-8-6-12)9-17-11-4-2-3-10(18-11)13(14,15)16/h2-4H,5-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 274.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyloxan-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 103743077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).