1-[4-(ethylamino)butyl]-3-methylpyridin-2-one

C12H20N2O — CID 63172843

IUPAC1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
SMILESCCNCCCCn1cccc(C)c1=O
InChIInChI=1S/C12H20N2O/c1-3-13-8-4-5-9-14-10-6-7-11(2)12(14)15/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyTWTBPHJAEZTNND-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.55
Rot. Bonds6

About 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one

1-[4-(ethylamino)butyl]-3-methylpyridin-2-one (PubChem CID 63172843) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
PubChem CID63172843
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
SMILESCCNCCCCn1cccc(C)c1=O
InChIInChI=1S/C12H20N2O/c1-3-13-8-4-5-9-14-10-6-7-11(2)12(14)15/h6-7,10,13H,3-5,8-9H2,1-2H3
InChIKeyTWTBPHJAEZTNND-UHFFFAOYSA-N
XLogP1.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.55
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

3-methyl-1-[3-(methylamino)propyl]pyridin-2-one
CID 63172327
1-(4-bromobutyl)-3-methylpyridin-2-one
CID 63172457
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
1-(3-ethylsulfonylpropyl)-3-methylpyridin-2-one
CID 115650998
5-(3-methyl-2-oxo-1-pyridinyl)pentanenitrile
CID 63172292
3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
CID 115610761
1-(2-fluoroethyl)-3-methylpyridin-2-one
CID 116621496
1-[2-(benzylamino)ethyl]-3-methylpyridin-2-one
CID 63172535
1-(4-aminopentyl)-3-methylpyridin-2-one
CID 63172460
3-methyl-1-[2-(2-methylanilino)ethyl]pyridin-2-one
CID 63172575
3-methyl-1-[2-(3-methylbutan-2-ylamino)ethyl]pyridin-2-one
CID 63172709
3-methyl-1-[2-(4-methylanilino)ethyl]pyridin-2-one
CID 63172665

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one (CID 63172843) is 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one is CCNCCCCn1cccc(C)c1=O.
What is the InChIKey of 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one?
The InChIKey is TWTBPHJAEZTNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-13-8-4-5-9-14-10-6-7-11(2)12(14)15/h6-7,10,13H,3-5,8-9H2,1-2H3.
What are the key properties of 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one?
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(ethylamino)butyl]-3-methylpyridin-2-one is sourced from PubChem (CID 63172843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).