3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one

C14H24N2O — CID 82525364

IUPAC3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
SMILESCCCn1c(C)ccc(CNC(C)CC)c1=O
InChIInChI=1S/C14H24N2O/c1-5-9-16-12(4)7-8-13(14(16)17)10-15-11(3)6-2/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyGBNWBMIPYFFRQU-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.45
Rot. Bonds6

About 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one

3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one (PubChem CID 82525364) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
PubChem CID82525364
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one
SMILESCCCn1c(C)ccc(CNC(C)CC)c1=O
InChIInChI=1S/C14H24N2O/c1-5-9-16-12(4)7-8-13(14(16)17)10-15-11(3)6-2/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyGBNWBMIPYFFRQU-UHFFFAOYSA-N
XLogP2.45
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(butan-2-ylamino)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525147
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
3-[(butan-2-ylamino)methyl]-1-cyclopentyl-6-methylpyridin-2-one
CID 82524895
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
CID 82526711
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254
3-(bromomethyl)-1-butyl-6-methylpyridin-2-one
CID 82525141
3-(6-methyl-2-oxo-1-propyl-3-pyridinyl)propanoic acid
CID 82525308
3-[(butan-2-ylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82527159
3-[(butan-2-ylamino)methyl]-6-(4-fluorophenyl)-1-methylpyridin-2-one
CID 82519652
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446

Frequently Asked Questions

What is the IUPAC name of 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one?
The IUPAC name of 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one (CID 82525364) is 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one.
What is the SMILES notation for 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one?
The canonical SMILES for 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one is CCCn1c(C)ccc(CNC(C)CC)c1=O.
What is the InChIKey of 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one?
The InChIKey is GBNWBMIPYFFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-9-16-12(4)7-8-13(14(16)17)10-15-11(3)6-2/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of 3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one?
3-[(butan-2-ylamino)methyl]-6-methyl-1-propylpyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.45, 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]-6-methyl-1-propylpyridin-2-one is sourced from PubChem (CID 82525364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).