1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine

C11H15N3 — CID 59937440

IUPAC1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine
SMILES[C-]#[N+]c1cc(NNCC)c(C)cc1C
InChIInChI=1S/C11H15N3/c1-5-13-14-11-7-10(12-4)8(2)6-9(11)3/h6-7,13-14H,5H2,1-3H3
InChIKeyQWNBNNDXNNHZIB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.79
Rot. Bonds3

About 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine

1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine (PubChem CID 59937440) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine.

Molecular Properties

Compound Name1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine
PubChem CID59937440
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine
SMILES[C-]#[N+]c1cc(NNCC)c(C)cc1C
InChIInChI=1S/C11H15N3/c1-5-13-14-11-7-10(12-4)8(2)6-9(11)3/h6-7,13-14H,5H2,1-3H3
InChIKeyQWNBNNDXNNHZIB-UHFFFAOYSA-N
XLogP2.79
TPSA28.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine?
The IUPAC name of 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine (CID 59937440) is 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine.
What is the SMILES notation for 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine?
The canonical SMILES for 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine is [C-]#[N+]c1cc(NNCC)c(C)cc1C.
What is the InChIKey of 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine?
The InChIKey is QWNBNNDXNNHZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-5-13-14-11-7-10(12-4)8(2)6-9(11)3/h6-7,13-14H,5H2,1-3H3.
What are the key properties of 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine?
1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine has a molecular weight of 189.26 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(5-isocyano-2,4-dimethylphenyl)hydrazine is sourced from PubChem (CID 59937440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).