[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine

C13H22N2O — CID 105273984

IUPAC[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine
SMILESCCOC(C)(C)C(NN)c1ccc(C)cc1
InChIInChI=1S/C13H22N2O/c1-5-16-13(3,4)12(15-14)11-8-6-10(2)7-9-11/h6-9,12,15H,5,14H2,1-4H3
InChIKeySXWQSTDZFJQUBK-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.31
Rot. Bonds5

About [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine

[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine (PubChem CID 105273984) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine
PubChem CID105273984
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine
SMILESCCOC(C)(C)C(NN)c1ccc(C)cc1
InChIInChI=1S/C13H22N2O/c1-5-16-13(3,4)12(15-14)11-8-6-10(2)7-9-11/h6-9,12,15H,5,14H2,1-4H3
InChIKeySXWQSTDZFJQUBK-UHFFFAOYSA-N
XLogP2.31
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine?
The IUPAC name of [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine (CID 105273984) is [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine.
What is the SMILES notation for [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine?
The canonical SMILES for [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine is CCOC(C)(C)C(NN)c1ccc(C)cc1.
What is the InChIKey of [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine?
The InChIKey is SXWQSTDZFJQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-16-13(3,4)12(15-14)11-8-6-10(2)7-9-11/h6-9,12,15H,5,14H2,1-4H3.
What are the key properties of [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine?
[2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine has a molecular weight of 222.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-2-methyl-1-(4-methylphenyl)propyl]hydrazine is sourced from PubChem (CID 105273984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).