2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide

C15H25N3O — CID 116848629

IUPAC2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(N)C(=O)NN
InChIInChI=1S/C15H25N3O/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-13(16)14(19)18-17/h6-7,13H,8,16-17H2,1-5H3,(H,18,19)
InChIKeyCZWCAFHFFNHPCK-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide

2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide (PubChem CID 116848629) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide.

Molecular Properties

Compound Name2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
PubChem CID116848629
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(N)C(=O)NN
InChIInChI=1S/C15H25N3O/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-13(16)14(19)18-17/h6-7,13H,8,16-17H2,1-5H3,(H,18,19)
InChIKeyCZWCAFHFFNHPCK-UHFFFAOYSA-N
XLogP1.46
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
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'}

Analyze 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide 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-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbut-3-en-2-amine
CID 79189836
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 75009597
[1-(4-tert-butyl-2,6-dimethylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105197851
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626
4-[(2S)-2-amino-2-carboxyethyl]-3,5-dimethylbenzoic acid;hydrochloride
CID 141482509
tert-butyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 138718458
2-[(4-tert-butyl-2,6-dimethylphenyl)methoxy]acetohydrazide
CID 116845495
[1-(4-tert-butyl-2,6-dimethylphenyl)-4-methylpent-4-en-2-yl]hydrazine
CID 105197853
1-(4-tert-butyl-2,6-dimethylphenyl)but-3-en-2-ylhydrazine
CID 105197829
methyl 2-amino-3-(4-fluoro-2,6-dimethylphenyl)propanoate
CID 170883567

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide?
The IUPAC name of 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide (CID 116848629) is 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide.
What is the SMILES notation for 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide?
The canonical SMILES for 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide is Cc1cc(C(C)(C)C)cc(C)c1CC(N)C(=O)NN.
What is the InChIKey of 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide?
The InChIKey is CZWCAFHFFNHPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-9-6-11(15(3,4)5)7-10(2)12(9)8-13(16)14(19)18-17/h6-7,13H,8,16-17H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide?
2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide has a molecular weight of 263.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butyl-2,6-dimethylphenyl)propanehydrazide is sourced from PubChem (CID 116848629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).