3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one

C13H22N2O2 — CID 82526542

IUPAC3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCCC(C)NCc1cccn(CCOC)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-11(2)14-10-12-6-5-7-15(13(12)16)8-9-17-3/h5-7,11,14H,4,8-10H2,1-3H3
InChIKeyHSCCODJMMYOZJJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.38
Rot. Bonds7

About 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one

3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 82526542) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
PubChem CID82526542
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
SMILESCCC(C)NCc1cccn(CCOC)c1=O
InChIInChI=1S/C13H22N2O2/c1-4-11(2)14-10-12-6-5-7-15(13(12)16)8-9-17-3/h5-7,11,14H,4,8-10H2,1-3H3
InChIKeyHSCCODJMMYOZJJ-UHFFFAOYSA-N
XLogP1.38
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
CID 82526711
3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82527159
3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
1-(2-methoxyethyl)-3-(propan-2-ylamino)pyridin-2-one
CID 139373358
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
CID 107017511
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
CID 82525687
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
N-[1-[1-(2-methoxyethyl)pyrrol-2-yl]ethyl]propan-1-amine
CID 79102768
1-(2-methoxyethyl)-3-nitropyridin-2-one
CID 89012682
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one (CID 82526542) is 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one is CCC(C)NCc1cccn(CCOC)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is HSCCODJMMYOZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-11(2)14-10-12-6-5-7-15(13(12)16)8-9-17-3/h5-7,11,14H,4,8-10H2,1-3H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one?
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.38, 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)pyridin-2-one is sourced from PubChem (CID 82526542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).