1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

C15H23F3N2O — CID 81310661

IUPAC1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)CCC(C)NCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C15H23F3N2O/c1-11(2)7-8-12(3)19-9-10-20-13(15(16,17)18)5-4-6-14(20)21/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyQRCFINMDMXPZII-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.28
Rot. Bonds7

About 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310661) has the molecular formula C15H23F3N2O and a molecular weight of 304.36 g/mol. Its IUPAC name is 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310661
Molecular FormulaC15H23F3N2O
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Name1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)CCC(C)NCCn1c(C(F)(F)F)cccc1=O
InChIInChI=1S/C15H23F3N2O/c1-11(2)7-8-12(3)19-9-10-20-13(15(16,17)18)5-4-6-14(20)21/h4-6,11-12,19H,7-10H2,1-3H3
InChIKeyQRCFINMDMXPZII-UHFFFAOYSA-N
XLogP3.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310661) is 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is CC(C)CCC(C)NCCn1c(C(F)(F)F)cccc1=O.
What is the InChIKey of 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is QRCFINMDMXPZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N2O/c1-11(2)7-8-12(3)19-9-10-20-13(15(16,17)18)5-4-6-14(20)21/h4-6,11-12,19H,7-10H2,1-3H3.
What are the key properties of 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 304.36 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylhexan-2-ylamino)ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).