1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one

C14H24N2O — CID 62566203

IUPAC1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCCNC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-12-8-7-9-13(17)16(12)11-6-5-10-15-14(2,3)4/h7-9,15H,5-6,10-11H2,1-4H3
InChIKeyLEQNBFWMTYNXQM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.33
Rot. Bonds5

About 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one

1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one (PubChem CID 62566203) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one
PubChem CID62566203
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCCCNC(C)(C)C
InChIInChI=1S/C14H24N2O/c1-12-8-7-9-13(17)16(12)11-6-5-10-15-14(2,3)4/h7-9,15H,5-6,10-11H2,1-4H3
InChIKeyLEQNBFWMTYNXQM-UHFFFAOYSA-N
XLogP2.33
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one (CID 62566203) is 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCCCNC(C)(C)C.
What is the InChIKey of 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one?
The InChIKey is LEQNBFWMTYNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12-8-7-9-13(17)16(12)11-6-5-10-15-14(2,3)4/h7-9,15H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one?
1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(tert-butylamino)butyl]-6-methylpyridin-2-one is sourced from PubChem (CID 62566203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).