3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one

C15H26N2O2 — CID 82525687

IUPAC3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
SMILESCCC(C)NCc1c(C)cc(C)n(CCOC)c1=O
InChIInChI=1S/C15H26N2O2/c1-6-12(3)16-10-14-11(2)9-13(4)17(15(14)18)7-8-19-5/h9,12,16H,6-8,10H2,1-5H3
InChIKeyZHAZSRJTJKOYGW-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.00
Rot. Bonds7

About 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one

3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one (PubChem CID 82525687) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
PubChem CID82525687
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
SMILESCCC(C)NCc1c(C)cc(C)n(CCOC)c1=O
InChIInChI=1S/C15H26N2O2/c1-6-12(3)16-10-14-11(2)9-13(4)17(15(14)18)7-8-19-5/h9,12,16H,6-8,10H2,1-5H3
InChIKeyZHAZSRJTJKOYGW-UHFFFAOYSA-N
XLogP2.00
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one
CID 82525884
1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
1-(3-methoxypropyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525650
2-[1-(2-methoxyethyl)-4,6-dimethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82525680
N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
CID 43177296
1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82526295
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
3-(ethylaminomethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525846
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
CID 82525976
3-[1-(3-methoxypropyl)-4,6-dimethyl-2-oxo-3-pyridinyl]propanoyl chloride
CID 82525616
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one (CID 82525687) is 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one is CCC(C)NCc1c(C)cc(C)n(CCOC)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one?
The InChIKey is ZHAZSRJTJKOYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-12(3)16-10-14-11(2)9-13(4)17(15(14)18)7-8-19-5/h9,12,16H,6-8,10H2,1-5H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 82525687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).