N,N'-dicyano-2-ethylbutanediamide

C8H10N4O2 — CID 139670353

IUPACN,N'-dicyano-2-ethylbutanediamide
SMILESCCC(CC(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C8H10N4O2/c1-2-6(8(14)12-5-10)3-7(13)11-4-9/h6H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyNNBZDOXQNAAWKT-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.40
Rot. Bonds4

About N,N'-dicyano-2-ethylbutanediamide

N,N'-dicyano-2-ethylbutanediamide (PubChem CID 139670353) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N,N'-dicyano-2-ethylbutanediamide.

Molecular Properties

Compound NameN,N'-dicyano-2-ethylbutanediamide
PubChem CID139670353
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN,N'-dicyano-2-ethylbutanediamide
SMILESCCC(CC(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C8H10N4O2/c1-2-6(8(14)12-5-10)3-7(13)11-4-9/h6H,2-3H2,1H3,(H,11,13)(H,12,14)
InChIKeyNNBZDOXQNAAWKT-UHFFFAOYSA-N
XLogP-0.40
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.40
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'}

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Related Compounds

N-cyano-(ethylvaleramidate)
CID 86745198
N,N'-dicyano-2-methylpentanediamide
CID 88642668
N,N'-dicyano-2-ethylpentanediamide
CID 139670349
N,N'-dicyano-2-ethylhexanediamide
CID 139670350
N-cyano-3-methylpentanamide
CID 121600069
(3R)-N-cyano-3-methylpentanamide
CID 153396008

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyano-2-ethylbutanediamide?
The IUPAC name of N,N'-dicyano-2-ethylbutanediamide (CID 139670353) is N,N'-dicyano-2-ethylbutanediamide.
What is the SMILES notation for N,N'-dicyano-2-ethylbutanediamide?
The canonical SMILES for N,N'-dicyano-2-ethylbutanediamide is CCC(CC(=O)NC#N)C(=O)NC#N.
What is the InChIKey of N,N'-dicyano-2-ethylbutanediamide?
The InChIKey is NNBZDOXQNAAWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-2-6(8(14)12-5-10)3-7(13)11-4-9/h6H,2-3H2,1H3,(H,11,13)(H,12,14).
What are the key properties of N,N'-dicyano-2-ethylbutanediamide?
N,N'-dicyano-2-ethylbutanediamide has a molecular weight of 194.19 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyano-2-ethylbutanediamide is sourced from PubChem (CID 139670353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).