2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide

C6H6N6 — CID 123160897

IUPAC2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide
SMILESC=C(/N=C/N)/C(=N/C#N)NC#N
InChIInChI=1S/C6H6N6/c1-5(10-2-7)6(11-3-8)12-4-9/h2H,1H2,(H2,7,10)(H,11,12)
InChIKeyNBOKAHYXLVVJMM-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.56
Rot. Bonds2

About 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide

2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide (PubChem CID 123160897) has the molecular formula C6H6N6 and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide.

Molecular Properties

Compound Name2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide
PubChem CID123160897
Molecular FormulaC6H6N6
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide
SMILESC=C(/N=C/N)/C(=N/C#N)NC#N
InChIInChI=1S/C6H6N6/c1-5(10-2-7)6(11-3-8)12-4-9/h2H,1H2,(H2,7,10)(H,11,12)
InChIKeyNBOKAHYXLVVJMM-UHFFFAOYSA-N
XLogP-0.56
TPSA110.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

CID 88543585
CID 88543585
2-amino-N-(aminomethylidene)-N'-iodoprop-2-enimidamide
CID 143725662
N,N'-dimethyl-2-(methylideneamino)prop-2-enimidamide
CID 145497001
N'-methyl-N-(5-methylidene-1H-imidazol-4-ylidene)methanimidamide
CID 147400047
5-methylidene-1H-imidazol-4-imine
CID 176547508

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide?
The IUPAC name of 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide (CID 123160897) is 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide.
What is the SMILES notation for 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide?
The canonical SMILES for 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide is C=C(/N=C/N)/C(=N/C#N)NC#N.
What is the InChIKey of 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide?
The InChIKey is NBOKAHYXLVVJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N6/c1-5(10-2-7)6(11-3-8)12-4-9/h2H,1H2,(H2,7,10)(H,11,12).
What are the key properties of 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide?
2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide has a molecular weight of 162.16 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethylideneamino)-N,N'-dicyanoprop-2-enimidamide is sourced from PubChem (CID 123160897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).