N,N'-dicyano-2-ethylpentanediamide

C9H12N4O2 — CID 139670349

IUPACN,N'-dicyano-2-ethylpentanediamide
SMILESCCC(CCC(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C9H12N4O2/c1-2-7(9(15)13-6-11)3-4-8(14)12-5-10/h7H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyLJVPXANANHKHKK-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.01
Rot. Bonds5

About N,N'-dicyano-2-ethylpentanediamide

N,N'-dicyano-2-ethylpentanediamide (PubChem CID 139670349) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N,N'-dicyano-2-ethylpentanediamide.

Molecular Properties

Compound NameN,N'-dicyano-2-ethylpentanediamide
PubChem CID139670349
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN,N'-dicyano-2-ethylpentanediamide
SMILESCCC(CCC(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C9H12N4O2/c1-2-7(9(15)13-6-11)3-4-8(14)12-5-10/h7H,2-4H2,1H3,(H,12,14)(H,13,15)
InChIKeyLJVPXANANHKHKK-UHFFFAOYSA-N
XLogP-0.01
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.01
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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Frequently Asked Questions

What is the IUPAC name of N,N'-dicyano-2-ethylpentanediamide?
The IUPAC name of N,N'-dicyano-2-ethylpentanediamide (CID 139670349) is N,N'-dicyano-2-ethylpentanediamide.
What is the SMILES notation for N,N'-dicyano-2-ethylpentanediamide?
The canonical SMILES for N,N'-dicyano-2-ethylpentanediamide is CCC(CCC(=O)NC#N)C(=O)NC#N.
What is the InChIKey of N,N'-dicyano-2-ethylpentanediamide?
The InChIKey is LJVPXANANHKHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-7(9(15)13-6-11)3-4-8(14)12-5-10/h7H,2-4H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N,N'-dicyano-2-ethylpentanediamide?
N,N'-dicyano-2-ethylpentanediamide has a molecular weight of 208.22 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyano-2-ethylpentanediamide is sourced from PubChem (CID 139670349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).