1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione

C14H19NO2 — CID 158299376

IUPAC1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione
SMILESCc1ccc(CC(=O)CCC(=O)CN)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(11(2)7-10)8-13(16)5-6-14(17)9-15/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyGEFOANDRKYAOBB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.72
Rot. Bonds6

About 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione

1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione (PubChem CID 158299376) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione.

Molecular Properties

Compound Name1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione
PubChem CID158299376
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione
SMILESCc1ccc(CC(=O)CCC(=O)CN)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(11(2)7-10)8-13(16)5-6-14(17)9-15/h3-4,7H,5-6,8-9,15H2,1-2H3
InChIKeyGEFOANDRKYAOBB-UHFFFAOYSA-N
XLogP1.72
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-amino-4-(2,4-dimethylphenyl)butan-2-one
CID 82281462
(2,4-dimethylphenyl)methyl 2-aminoacetate
CID 82112007
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
2-(2,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 7596977
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
(2,4-dimethylphenyl)methanamine;propane
CID 143780972
7-amino-1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106871174
4-(2,4-dimethylphenyl)-2-oxobutanoic acid
CID 57302764
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
ethyl 5-(2-hydroxy-5-methylphenyl)-4-oxopentanoate
CID 158022977

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione?
The IUPAC name of 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione (CID 158299376) is 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione.
What is the SMILES notation for 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione?
The canonical SMILES for 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione is Cc1ccc(CC(=O)CCC(=O)CN)c(C)c1.
What is the InChIKey of 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione?
The InChIKey is GEFOANDRKYAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-12(11(2)7-10)8-13(16)5-6-14(17)9-15/h3-4,7H,5-6,8-9,15H2,1-2H3.
What are the key properties of 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione?
1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione has a molecular weight of 233.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(2,4-dimethylphenyl)hexane-2,5-dione is sourced from PubChem (CID 158299376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).