2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide

C11H15N5O — CID 168591849

IUPAC2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C=NN=C(N)N
InChIInChI=1S/C11H15N5O/c1-16(2)10(17)9-6-4-3-5-8(9)7-14-15-11(12)13/h3-7H,1-2H3,(H4,12,13,15)
InChIKeyOKNJYQRDIBCIIQ-UHFFFAOYSA-N
MW233.28 g/mol
LogP-0.00
Rot. Bonds3

About 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide

2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide (PubChem CID 168591849) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
PubChem CID168591849
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccccc1C=NN=C(N)N
InChIInChI=1S/C11H15N5O/c1-16(2)10(17)9-6-4-3-5-8(9)7-14-15-11(12)13/h3-7H,1-2H3,(H4,12,13,15)
InChIKeyOKNJYQRDIBCIIQ-UHFFFAOYSA-N
XLogP-0.00
TPSA97.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide (CID 168591849) is 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccccc1C=NN=C(N)N.
What is the InChIKey of 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide?
The InChIKey is OKNJYQRDIBCIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-16(2)10(17)9-6-4-3-5-8(9)7-14-15-11(12)13/h3-7H,1-2H3,(H4,12,13,15).
What are the key properties of 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide?
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide has a molecular weight of 233.28 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 168591849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).