3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one

C13H22N2O — CID 82527159

IUPAC3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
SMILESCCC(C)NCc1cccn(C(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-5-11(4)14-9-12-7-6-8-15(10(2)3)13(12)16/h6-8,10-11,14H,5,9H2,1-4H3
InChIKeyVBSFGOVHRUGURZ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.32
Rot. Bonds5

About 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one

3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one (PubChem CID 82527159) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
PubChem CID82527159
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
SMILESCCC(C)NCc1cccn(C(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-5-11(4)14-9-12-7-6-8-15(10(2)3)13(12)16/h6-8,10-11,14H,5,9H2,1-4H3
InChIKeyVBSFGOVHRUGURZ-UHFFFAOYSA-N
XLogP2.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
CID 82526711
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
1-butan-2-yl-3-(methylaminomethyl)pyridin-2-one
CID 82526863
N-[(2-methyl-3-pyridinyl)methyl]butan-2-amine
CID 78928581
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
CID 82525364
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
1-(difluoromethyl)-3-ethylpyridin-2-one
CID 177136137
N-[(2-phenylphenyl)methyl]butan-2-amine
CID 165473157
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652
3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
CID 82524895
(2S)-N-[(2-ethoxyphenyl)methyl]butan-2-amine
CID 905439

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one (CID 82527159) is 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one is CCC(C)NCc1cccn(C(C)C)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is VBSFGOVHRUGURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-11(4)14-9-12-7-6-8-15(10(2)3)13(12)16/h6-8,10-11,14H,5,9H2,1-4H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.32, 5 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]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82527159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).