6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one

C17H28N2O — CID 82523674

IUPAC6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1c(C(C)(C)C)ccc(CNC2CC2)c1=O
InChIInChI=1S/C17H28N2O/c1-12(2)11-19-15(17(3,4)5)9-6-13(16(19)20)10-18-14-7-8-14/h6,9,12,14,18H,7-8,10-11H2,1-5H3
InChIKeyIHQSBKSSNZZIGN-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds5

About 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one

6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one (PubChem CID 82523674) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
PubChem CID82523674
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
SMILESCC(C)Cn1c(C(C)(C)C)ccc(CNC2CC2)c1=O
InChIInChI=1S/C17H28N2O/c1-12(2)11-19-15(17(3,4)5)9-6-13(16(19)20)10-18-14-7-8-14/h6,9,12,14,18H,7-8,10-11H2,1-5H3
InChIKeyIHQSBKSSNZZIGN-UHFFFAOYSA-N
XLogP3.05
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopentylamino)methyl]-6-methyl-1-(2-methylpropyl)pyridin-2-one
CID 82525035
4-[(cyclopropylamino)methyl]-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443346
3-[(cyclopropylamino)methyl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524810
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524754
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
3-[(cyclopropylamino)methyl]-1-methyl-6-phenylpyridin-2-one
CID 82521328
3-[(cyclopropylamino)methyl]-6-(3,4-dimethylphenyl)-1-methylpyridin-2-one
CID 82520145
N-[[5-chloro-2-(2-methylpropyl)phenyl]methyl]cyclopropanamine
CID 66161100
3-[(cyclopropylamino)methyl]-6-(2,4-dimethylphenyl)-1-propylpyridin-2-one
CID 82520275
4-[(cyclopropylamino)methyl]-2-methyl-6-propan-2-ylpyridazin-3-one
CID 82443123
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one?
The IUPAC name of 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one (CID 82523674) is 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one?
The canonical SMILES for 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one is CC(C)Cn1c(C(C)(C)C)ccc(CNC2CC2)c1=O.
What is the InChIKey of 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one?
The InChIKey is IHQSBKSSNZZIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)11-19-15(17(3,4)5)9-6-13(16(19)20)10-18-14-7-8-14/h6,9,12,14,18H,7-8,10-11H2,1-5H3.
What are the key properties of 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one?
6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one has a molecular weight of 276.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one is sourced from PubChem (CID 82523674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).