1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one

C15H21F3N2O — CID 81310657

IUPAC1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC1CCCC(NCCn2c(C(F)(F)F)cccc2=O)C1
InChIInChI=1S/C15H21F3N2O/c1-11-4-2-5-12(10-11)19-8-9-20-13(15(16,17)18)6-3-7-14(20)21/h3,6-7,11-12,19H,2,4-5,8-10H2,1H3
InChIKeyMYBYGXHSHWUFIH-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.04
Rot. Bonds4

About 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one

1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one (PubChem CID 81310657) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one
PubChem CID81310657
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one
SMILESCC1CCCC(NCCn2c(C(F)(F)F)cccc2=O)C1
InChIInChI=1S/C15H21F3N2O/c1-11-4-2-5-12(10-11)19-8-9-20-13(15(16,17)18)6-3-7-14(20)21/h3,6-7,11-12,19H,2,4-5,8-10H2,1H3
InChIKeyMYBYGXHSHWUFIH-UHFFFAOYSA-N
XLogP3.04
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one (CID 81310657) is 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one is CC1CCCC(NCCn2c(C(F)(F)F)cccc2=O)C1.
What is the InChIKey of 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is MYBYGXHSHWUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11-4-2-5-12(10-11)19-8-9-20-13(15(16,17)18)6-3-7-14(20)21/h3,6-7,11-12,19H,2,4-5,8-10H2,1H3.
What are the key properties of 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one?
1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 302.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylcyclohexyl)amino]ethyl]-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 81310657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).