3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one

C12H20N2O — CID 82525370

IUPAC3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
SMILESCCCn1c(C)ccc(CNCC)c1=O
InChIInChI=1S/C12H20N2O/c1-4-8-14-10(3)6-7-11(12(14)15)9-13-5-2/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeyZSLIWEVTBJEOIN-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.68
Rot. Bonds5

About 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one

3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one (PubChem CID 82525370) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
PubChem CID82525370
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
SMILESCCCn1c(C)ccc(CNCC)c1=O
InChIInChI=1S/C12H20N2O/c1-4-8-14-10(3)6-7-11(12(14)15)9-13-5-2/h6-7,13H,4-5,8-9H2,1-3H3
InChIKeyZSLIWEVTBJEOIN-UHFFFAOYSA-N
XLogP1.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)propanoic acid
CID 82525308
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one (CID 82525370) is 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one is CCCn1c(C)ccc(CNCC)c1=O.
What is the InChIKey of 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one?
The InChIKey is ZSLIWEVTBJEOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-8-14-10(3)6-7-11(12(14)15)9-13-5-2/h6-7,13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one?
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one is sourced from PubChem (CID 82525370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).