N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide

C8H12N6 — CID 110191303

IUPACN-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide
SMILESC/C(=N\CC/N=C(\C)NC#N)NC#N
InChIInChI=1S/C8H12N6/c1-7(13-5-9)11-3-4-12-8(2)14-6-10/h3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBTHLMINFBFAQEF-UHFFFAOYSA-N
MW192.23 g/mol
LogP-0.04
Rot. Bonds3

About N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide

N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide (PubChem CID 110191303) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide
PubChem CID110191303
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide
SMILESC/C(=N\CC/N=C(\C)NC#N)NC#N
InChIInChI=1S/C8H12N6/c1-7(13-5-9)11-3-4-12-8(2)14-6-10/h3-4H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyBTHLMINFBFAQEF-UHFFFAOYSA-N
XLogP-0.04
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'}

Analyze N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide?
The IUPAC name of N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide (CID 110191303) is N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide.
What is the SMILES notation for N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide?
The canonical SMILES for N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide is C/C(=N\CC/N=C(\C)NC#N)NC#N.
What is the InChIKey of N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide?
The InChIKey is BTHLMINFBFAQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-7(13-5-9)11-3-4-12-8(2)14-6-10/h3-4H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide?
N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide has a molecular weight of 192.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-[2-[1-(cyanoamino)ethylideneamino]ethyl]ethanimidamide is sourced from PubChem (CID 110191303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).