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'}

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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).