6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one

C14H24N2O — CID 82523992

IUPAC6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one
SMILESCCCCNCc1ccc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C14H24N2O/c1-5-6-9-15-10-11-7-8-12(14(2,3)4)16-13(11)17/h7-8,15H,5-6,9-10H2,1-4H3,(H,16,17)
InChIKeyINLVORGTIMGSEI-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.56
Rot. Bonds5

About 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one

6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one (PubChem CID 82523992) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one
PubChem CID82523992
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one
SMILESCCCCNCc1ccc(C(C)(C)C)[nH]c1=O
InChIInChI=1S/C14H24N2O/c1-5-6-9-15-10-11-7-8-12(14(2,3)4)16-13(11)17/h7-8,15H,5-6,9-10H2,1-4H3,(H,16,17)
InChIKeyINLVORGTIMGSEI-UHFFFAOYSA-N
XLogP2.56
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(butylaminomethyl)-6-(4-ethylphenyl)-1H-pyridin-2-one
CID 82520675
3-tert-butyl-5-(butylaminomethyl)-1H-pyridazin-6-one
CID 82443430
5-(butylaminomethyl)-3-(4-methylphenyl)-1H-pyridazin-6-one
CID 82445436
2-amino-5-(butylaminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137066531
3-(butylaminomethyl)-6-methyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
CID 82522143
7-(butylaminomethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
CID 136600944
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[(2-iodophenyl)methyl]butan-1-amine
CID 14973231
N-[(2-methoxy-3,4-dimethylphenyl)methyl]butan-1-amine
CID 97179136
5-(butylaminomethyl)-3-thiophen-2-yl-1H-pyridazin-6-one
CID 82446488
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653
6-tert-butyl-1-propyl-3-(propylaminomethyl)pyridin-2-one
CID 82523834

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one?
The IUPAC name of 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one (CID 82523992) is 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one is CCCCNCc1ccc(C(C)(C)C)[nH]c1=O.
What is the InChIKey of 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one?
The InChIKey is INLVORGTIMGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-9-15-10-11-7-8-12(14(2,3)4)16-13(11)17/h7-8,15H,5-6,9-10H2,1-4H3,(H,16,17).
What are the key properties of 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one?
6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(butylaminomethyl)-1H-pyridin-2-one is sourced from PubChem (CID 82523992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).