3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one

C14H24N2O — CID 82525815

IUPAC3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one
SMILESCCCCCn1c(C)cc(C)c(C(C)N)c1=O
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-16-11(3)9-10(2)13(12(4)15)14(16)17/h9,12H,5-8,15H2,1-4H3
InChIKeyICEVKNLJPUYHLB-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.68
Rot. Bonds5

About 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one

3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one (PubChem CID 82525815) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one
PubChem CID82525815
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one
SMILESCCCCCn1c(C)cc(C)c(C(C)N)c1=O
InChIInChI=1S/C14H24N2O/c1-5-6-7-8-16-11(3)9-10(2)13(12(4)15)14(16)17/h9,12H,5-8,15H2,1-4H3
InChIKeyICEVKNLJPUYHLB-UHFFFAOYSA-N
XLogP2.68
TPSA48.02 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 ≤ 52.68
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-(1-aminoethyl)-1-ethyl-4,6-dimethylpyridin-2-one
CID 82526155
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
CID 82525958
3-(ethylaminomethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525846
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
CID 82525976
1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide
CID 73402979
3-[amino-(2,5-dimethylphenyl)methyl]-1-butyl-6-methylpyridin-2-one
CID 82525129
6-dodecyl-2-[2-(6-dodecyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 122674536
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
3-acetyl-6-methyl-1-nonylpyridin-2-one
CID 82064801
3-(bromomethyl)-1-butyl-6-methylpyridin-2-one
CID 82525141
2,5-dimethyl-1-octylpyrrole-3-carboxylic acid
CID 115566466

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one?
The IUPAC name of 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one (CID 82525815) is 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one is CCCCCn1c(C)cc(C)c(C(C)N)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one?
The InChIKey is ICEVKNLJPUYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-6-7-8-16-11(3)9-10(2)13(12(4)15)14(16)17/h9,12H,5-8,15H2,1-4H3.
What are the key properties of 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one?
3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one is sourced from PubChem (CID 82525815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).