N-cyano-N'-(2-cyanoethyl)ethanimidamide

C6H8N4 — CID 54270711

IUPACN-cyano-N'-(2-cyanoethyl)ethanimidamide
SMILESC/C(=N\CCC#N)NC#N
InChIInChI=1S/C6H8N4/c1-6(10-5-8)9-4-2-3-7/h2,4H2,1H3,(H,9,10)
InChIKeyRJXGMFDIPIUDAZ-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.39
Rot. Bonds2

About N-cyano-N'-(2-cyanoethyl)ethanimidamide

N-cyano-N'-(2-cyanoethyl)ethanimidamide (PubChem CID 54270711) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is N-cyano-N'-(2-cyanoethyl)ethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-(2-cyanoethyl)ethanimidamide
PubChem CID54270711
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC NameN-cyano-N'-(2-cyanoethyl)ethanimidamide
SMILESC/C(=N\CCC#N)NC#N
InChIInChI=1S/C6H8N4/c1-6(10-5-8)9-4-2-3-7/h2,4H2,1H3,(H,9,10)
InChIKeyRJXGMFDIPIUDAZ-UHFFFAOYSA-N
XLogP0.39
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-N'-(2-cyanoethyl)ethanimidamide?
The IUPAC name of N-cyano-N'-(2-cyanoethyl)ethanimidamide (CID 54270711) is N-cyano-N'-(2-cyanoethyl)ethanimidamide.
What is the SMILES notation for N-cyano-N'-(2-cyanoethyl)ethanimidamide?
The canonical SMILES for N-cyano-N'-(2-cyanoethyl)ethanimidamide is C/C(=N\CCC#N)NC#N.
What is the InChIKey of N-cyano-N'-(2-cyanoethyl)ethanimidamide?
The InChIKey is RJXGMFDIPIUDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-6(10-5-8)9-4-2-3-7/h2,4H2,1H3,(H,9,10).
What are the key properties of N-cyano-N'-(2-cyanoethyl)ethanimidamide?
N-cyano-N'-(2-cyanoethyl)ethanimidamide has a molecular weight of 136.16 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(2-cyanoethyl)ethanimidamide is sourced from PubChem (CID 54270711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).