3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one

C10H13F3N2O — CID 105494006

IUPAC3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1c(C(F)(F)F)ccc(CN)c1=O
InChIInChI=1S/C10H13F3N2O/c1-6(2)15-8(10(11,12)13)4-3-7(5-14)9(15)16/h3-4,6H,5,14H2,1-2H3
InChIKeyJTYRPTNCSGXBEJ-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.91
Rot. Bonds2

About 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one

3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one (PubChem CID 105494006) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
PubChem CID105494006
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
SMILESCC(C)n1c(C(F)(F)F)ccc(CN)c1=O
InChIInChI=1S/C10H13F3N2O/c1-6(2)15-8(10(11,12)13)4-3-7(5-14)9(15)16/h3-4,6H,5,14H2,1-2H3
InChIKeyJTYRPTNCSGXBEJ-UHFFFAOYSA-N
XLogP1.91
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one
CID 105475198
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
3-(aminomethyl)-6-(3,4-dimethylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189342
2-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrrole
CID 170364392
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
3-(aminomethyl)-6-tert-butyl-1-cyclopropylpyridin-2-one
CID 82189037
3-(bromomethyl)-6-methyl-1-propan-2-ylpyridin-2-one
CID 82525286
3-(aminomethyl)-1-(4-methylphenyl)-6-propan-2-ylpyridin-2-one
CID 82189019
1-methyl-3-propan-2-yl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 11172400
3-(aminomethyl)-6-tert-butyl-1-(3-methoxypropyl)pyridin-2-one
CID 82189045
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
[2-propan-2-yl-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 119054456

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one (CID 105494006) is 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one is CC(C)n1c(C(F)(F)F)ccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
The InChIKey is JTYRPTNCSGXBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-6(2)15-8(10(11,12)13)4-3-7(5-14)9(15)16/h3-4,6H,5,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one?
3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one has a molecular weight of 234.22 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-propan-2-yl-6-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 105494006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).