3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one

C16H28N2O — CID 82525884

IUPAC3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one
SMILESCCC(C)NCc1c(C)cc(C)n(CC(C)C)c1=O
InChIInChI=1S/C16H28N2O/c1-7-13(5)17-9-15-12(4)8-14(6)18(16(15)19)10-11(2)3/h8,11,13,17H,7,9-10H2,1-6H3
InChIKeyZIKIQBDBXPDUDN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.01
Rot. Bonds6

About 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one

3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82525884) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one
PubChem CID82525884
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one
SMILESCCC(C)NCc1c(C)cc(C)n(CC(C)C)c1=O
InChIInChI=1S/C16H28N2O/c1-7-13(5)17-9-15-12(4)8-14(6)18(16(15)19)10-11(2)3/h8,11,13,17H,7,9-10H2,1-6H3
InChIKeyZIKIQBDBXPDUDN-UHFFFAOYSA-N
XLogP3.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)-4,6-dimethylpyridin-2-one
CID 82525687
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-(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-amino-4-(dimethylamino)-6-methyl-1-(2-methylpropyl)pyridin-2-one
CID 39334454
4,6-dimethyl-1-(3-methylbutyl)-3-(sulfanylmethyl)pyridin-2-one
CID 82525790
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
1-(2-methoxyethyl)-4,6-dimethyl-3-(methylaminomethyl)pyridin-2-one
CID 82525694
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
N-[(4,6-dimethylpyrimidin-2-yl)methyl]butan-2-amine
CID 130198316

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one (CID 82525884) is 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one is CCC(C)NCc1c(C)cc(C)n(CC(C)C)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is ZIKIQBDBXPDUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-7-13(5)17-9-15-12(4)8-14(6)18(16(15)19)10-11(2)3/h8,11,13,17H,7,9-10H2,1-6H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one?
3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 264.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(butan-2-ylamino)methyl]-4,6-dimethyl-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82525884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).