2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile

C11H15N3 — CID 82125509

IUPAC2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile
SMILESCc1ccc(CC(C)(C#N)NN)cc1
InChIInChI=1S/C11H15N3/c1-9-3-5-10(6-4-9)7-11(2,8-12)14-13/h3-6,14H,7,13H2,1-2H3
InChIKeyZZGBMZIKOJGKOA-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.28
Rot. Bonds3

About 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile

2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile (PubChem CID 82125509) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile.

Molecular Properties

Compound Name2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile
PubChem CID82125509
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile
SMILESCc1ccc(CC(C)(C#N)NN)cc1
InChIInChI=1S/C11H15N3/c1-9-3-5-10(6-4-9)7-11(2,8-12)14-13/h3-6,14H,7,13H2,1-2H3
InChIKeyZZGBMZIKOJGKOA-UHFFFAOYSA-N
XLogP1.28
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.28
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-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile?
The IUPAC name of 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile (CID 82125509) is 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile.
What is the SMILES notation for 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile?
The canonical SMILES for 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile is Cc1ccc(CC(C)(C#N)NN)cc1.
What is the InChIKey of 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile?
The InChIKey is ZZGBMZIKOJGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9-3-5-10(6-4-9)7-11(2,8-12)14-13/h3-6,14H,7,13H2,1-2H3.
What are the key properties of 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile?
2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2-methyl-3-(4-methylphenyl)propanenitrile is sourced from PubChem (CID 82125509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).