6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one

C16H28N2O — CID 82523834

IUPAC6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(C(C)(C)C)n(CCC)c1=O
InChIInChI=1S/C16H28N2O/c1-6-10-17-12-13-8-9-14(16(3,4)5)18(11-7-2)15(13)19/h8-9,17H,6-7,10-12H2,1-5H3
InChIKeyWEQFRDLILRNRDN-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.06
Rot. Bonds6

About 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one

6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one (PubChem CID 82523834) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
PubChem CID82523834
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
SMILESCCCNCc1ccc(C(C)(C)C)n(CCC)c1=O
InChIInChI=1S/C16H28N2O/c1-6-10-17-12-13-8-9-14(16(3,4)5)18(11-7-2)15(13)19/h8-9,17H,6-7,10-12H2,1-5H3
InChIKeyWEQFRDLILRNRDN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-tert-butyl-1-(3-methoxypropyl)-3-(propylaminomethyl)pyridin-2-one
CID 82523460
6-tert-butyl-3-[(2-methoxyethylamino)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82523455
1-ethyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525446
1-butyl-6-methyl-3-(propylaminomethyl)pyridin-2-one
CID 82525151
6-tert-butyl-1-(2-methoxyethyl)-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82523492
3-(ethylaminomethyl)-6-methyl-1-propylpyridin-2-one
CID 82525370
2-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)acetic acid
CID 82523698
6-(3,4-dimethylphenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82520080
3-(1-butyl-6-tert-butyl-2-oxo-3-pyridinyl)propanoic acid
CID 82523689
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
6-tert-butyl-3-[(2-methylpropylamino)methyl]-1-propan-2-ylpyridin-2-one
CID 82523790
6-tert-butyl-3-[(cyclopropylamino)methyl]-1-(2-methylpropyl)pyridin-2-one
CID 82523674

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one?
The IUPAC name of 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one (CID 82523834) is 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one?
The canonical SMILES for 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one is CCCNCc1ccc(C(C)(C)C)n(CCC)c1=O.
What is the InChIKey of 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one?
The InChIKey is WEQFRDLILRNRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-10-17-12-13-8-9-14(16(3,4)5)18(11-7-2)15(13)19/h8-9,17H,6-7,10-12H2,1-5H3.
What are the key properties of 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one?
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one has a molecular weight of 264.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one is sourced from PubChem (CID 82523834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).