2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride

C11H18Cl2N6 — CID 67825875

IUPAC2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride
SMILESC/N=C(\NC)c1ccccc1C=NN=C(N)N.Cl.Cl
InChIInChI=1S/C11H16N6.2ClH/c1-14-10(15-2)9-6-4-3-5-8(9)7-16-17-11(12)13;;/h3-7H,1-2H3,(H,14,15)(H4,12,13,17);2*1H
InChIKeySEGLULJLEOUVQZ-UHFFFAOYSA-N
MW305.21 g/mol
LogP0.73
Rot. Bonds3

About 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride

2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride (PubChem CID 67825875) has the molecular formula C11H18Cl2N6 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride.

Molecular Properties

Compound Name2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride
PubChem CID67825875
Molecular FormulaC11H18Cl2N6
Molecular Weight305.21 g/mol
Exact Mass304.10
IUPAC Name2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride
SMILESC/N=C(\NC)c1ccccc1C=NN=C(N)N.Cl.Cl
InChIInChI=1S/C11H16N6.2ClH/c1-14-10(15-2)9-6-4-3-5-8(9)7-16-17-11(12)13;;/h3-7H,1-2H3,(H,14,15)(H4,12,13,17);2*1H
InChIKeySEGLULJLEOUVQZ-UHFFFAOYSA-N
XLogP0.73
TPSA101.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 50.73
H-Bond Donors ≤ 53
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'-dimethylbenzenecarboximidamide;dihydrochloride?
The IUPAC name of 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride (CID 67825875) is 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride.
What is the SMILES notation for 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride?
The canonical SMILES for 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride is C/N=C(\NC)c1ccccc1C=NN=C(N)N.Cl.Cl.
What is the InChIKey of 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride?
The InChIKey is SEGLULJLEOUVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6.2ClH/c1-14-10(15-2)9-6-4-3-5-8(9)7-16-17-11(12)13;;/h3-7H,1-2H3,(H,14,15)(H4,12,13,17);2*1H.
What are the key properties of 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride?
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride has a molecular weight of 305.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(diaminomethylidenehydrazinylidene)methyl]-N,N'-dimethylbenzenecarboximidamide;dihydrochloride is sourced from PubChem (CID 67825875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).