1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one

C16H28N2O2 — CID 82524343

IUPAC1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
SMILESCCCCn1c(C(C)C)ccc(CNCCOC)c1=O
InChIInChI=1S/C16H28N2O2/c1-5-6-10-18-15(13(2)3)8-7-14(16(18)19)12-17-9-11-20-4/h7-8,13,17H,5-6,9-12H2,1-4H3
InChIKeyYSVWSMBNEMITJZ-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.51
Rot. Bonds9

About 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one

1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one (PubChem CID 82524343) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
PubChem CID82524343
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
SMILESCCCCn1c(C(C)C)ccc(CNCCOC)c1=O
InChIInChI=1S/C16H28N2O2/c1-5-6-10-18-15(13(2)3)8-7-14(16(18)19)12-17-9-11-20-4/h7-8,13,17H,5-6,9-12H2,1-4H3
InChIKeyYSVWSMBNEMITJZ-UHFFFAOYSA-N
XLogP2.51
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
CID 82526709
2-[1-(3-methoxypropyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524044
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524193
3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
CID 82524208
2-[1-(2-methoxyethyl)-2-oxo-6-propan-2-yl-3-pyridinyl]acetonitrile
CID 82524085
3-(butylaminomethyl)-1-cyclopentyl-6-propan-2-ylpyridin-2-one
CID 82524159
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one?
The IUPAC name of 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one (CID 82524343) is 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one is CCCCn1c(C(C)C)ccc(CNCCOC)c1=O.
What is the InChIKey of 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one?
The InChIKey is YSVWSMBNEMITJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-6-10-18-15(13(2)3)8-7-14(16(18)19)12-17-9-11-20-4/h7-8,13,17H,5-6,9-12H2,1-4H3.
What are the key properties of 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one?
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82524343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).