2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide

C11H17N3O — CID 116848899

IUPAC2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide
SMILESCc1ccc(C(N)C(=O)N(C)N)c(C)c1
InChIInChI=1S/C11H17N3O/c1-7-4-5-9(8(2)6-7)10(12)11(15)14(3)13/h4-6,10H,12-13H2,1-3H3
InChIKeyPJIGMIYJEZKTEE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.64
Rot. Bonds2

About 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide

2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide (PubChem CID 116848899) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide.

Molecular Properties

Compound Name2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide
PubChem CID116848899
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide
SMILESCc1ccc(C(N)C(=O)N(C)N)c(C)c1
InChIInChI=1S/C11H17N3O/c1-7-4-5-9(8(2)6-7)10(12)11(15)14(3)13/h4-6,10H,12-13H2,1-3H3
InChIKeyPJIGMIYJEZKTEE-UHFFFAOYSA-N
XLogP0.64
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-(2-methoxy-3,5-dimethylphenyl)-N-methylacetohydrazide
CID 116848944
2-(2,4-dimethylphenyl)-2-hydroxy-N,N-dimethylacetamide
CID 82126531
2-amino-2-(4-tert-butyl-2,6-dimethylphenyl)-N-methylacetohydrazide
CID 116848948
(2S)-2-amino-2-[4-(dimethylamino)-2-methylphenyl]acetic acid
CID 124634757
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
(2S)-2-amino-N-[1-(2,4-dimethylphenyl)ethyl]propanamide
CID 61146836
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
3,4-diamino-4-(2,4-dimethylphenyl)butanoic acid
CID 116942779
1-(2,4-dimethylphenyl)-1-(methylamino)propan-2-one
CID 116955821
3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
CID 116849645
2-amino-2-(2,5-dimethylphenyl)-N',N'-dimethylacetohydrazide
CID 116849762

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide?
The IUPAC name of 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide (CID 116848899) is 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide.
What is the SMILES notation for 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide?
The canonical SMILES for 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide is Cc1ccc(C(N)C(=O)N(C)N)c(C)c1.
What is the InChIKey of 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide?
The InChIKey is PJIGMIYJEZKTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-4-5-9(8(2)6-7)10(12)11(15)14(3)13/h4-6,10H,12-13H2,1-3H3.
What are the key properties of 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide?
2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide has a molecular weight of 207.28 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4-dimethylphenyl)-N-methylacetohydrazide is sourced from PubChem (CID 116848899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).