2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide

C13H21N3O — CID 116849913

IUPAC2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide
SMILESCc1ccc(CC(N)C(=O)NN(C)C)c(C)c1
InChIInChI=1S/C13H21N3O/c1-9-5-6-11(10(2)7-9)8-12(14)13(17)15-16(3)4/h5-7,12H,8,14H2,1-4H3,(H,15,17)
InChIKeyOKHWAXFQMRVHKE-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide

2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide (PubChem CID 116849913) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide
PubChem CID116849913
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide
SMILESCc1ccc(CC(N)C(=O)NN(C)C)c(C)c1
InChIInChI=1S/C13H21N3O/c1-9-5-6-11(10(2)7-9)8-12(14)13(17)15-16(3)4/h5-7,12H,8,14H2,1-4H3,(H,15,17)
InChIKeyOKHWAXFQMRVHKE-UHFFFAOYSA-N
XLogP0.77
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
2-amino-2-(2,5-dimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116849762
2-amino-3-(3-fluorophenyl)-N',N'-dimethylpropanehydrazide
CID 116849968
(3R)-3-amino-4-(2,4-dimethylphenyl)butanamide
CID 168863362
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
methyl 2-[(2,4-dimethylphenyl)methyl]butanoate
CID 116931270
2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
CID 119779245
(2S)-2-amino-3-(1H-indol-3-yl)-N',N'-dimethylpropanehydrazide
CID 83020765
2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide (CID 116849913) is 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide is Cc1ccc(CC(N)C(=O)NN(C)C)c(C)c1.
What is the InChIKey of 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide?
The InChIKey is OKHWAXFQMRVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-5-6-11(10(2)7-9)8-12(14)13(17)15-16(3)4/h5-7,12H,8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide?
2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide has a molecular weight of 235.33 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dimethylphenyl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116849913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).