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

C17H30N2O — CID 82523790

IUPAC6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)CNCc1ccc(C(C)(C)C)n(C(C)C)c1=O
InChIInChI=1S/C17H30N2O/c1-12(2)10-18-11-14-8-9-15(17(5,6)7)19(13(3)4)16(14)20/h8-9,12-13,18H,10-11H2,1-7H3
InChIKeyWIMSMMDQRFKWFE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.47
Rot. Bonds5

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

6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one (PubChem CID 82523790) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
PubChem CID82523790
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)CNCc1ccc(C(C)(C)C)n(C(C)C)c1=O
InChIInChI=1S/C17H30N2O/c1-12(2)10-18-11-14-8-9-15(17(5,6)7)19(13(3)4)16(14)20/h8-9,12-13,18H,10-11H2,1-7H3
InChIKeyWIMSMMDQRFKWFE-UHFFFAOYSA-N
XLogP3.47
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527314
1-(3-methylbutyl)-3-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524193
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
6-tert-butyl-2-ethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82443565
1-(2-methoxyethyl)-6-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82524808
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834
6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82523674
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
2-methyl-4-[(2-methylpropylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443125
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one (CID 82523790) is 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one is CC(C)CNCc1ccc(C(C)(C)C)n(C(C)C)c1=O.
What is the InChIKey of 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is WIMSMMDQRFKWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12(2)10-18-11-14-8-9-15(17(5,6)7)19(13(3)4)16(14)20/h8-9,12-13,18H,10-11H2,1-7H3.
What are the key properties of 6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one?
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 278.44 g/mol, XLogP of 3.47, 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-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 82523790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).