N,N'-dicyano-2-ethylhexanediamide

C10H14N4O2 — CID 139670350

IUPACN,N'-dicyano-2-ethylhexanediamide
SMILESCCC(CCCC(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C10H14N4O2/c1-2-8(10(16)14-7-12)4-3-5-9(15)13-6-11/h8H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyNOQLNYHGZFHIAO-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.38
Rot. Bonds6

About N,N'-dicyano-2-ethylhexanediamide

N,N'-dicyano-2-ethylhexanediamide (PubChem CID 139670350) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N,N'-dicyano-2-ethylhexanediamide.

Molecular Properties

Compound NameN,N'-dicyano-2-ethylhexanediamide
PubChem CID139670350
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC NameN,N'-dicyano-2-ethylhexanediamide
SMILESCCC(CCCC(=O)NC#N)C(=O)NC#N
InChIInChI=1S/C10H14N4O2/c1-2-8(10(16)14-7-12)4-3-5-9(15)13-6-11/h8H,2-5H2,1H3,(H,13,15)(H,14,16)
InChIKeyNOQLNYHGZFHIAO-UHFFFAOYSA-N
XLogP0.38
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.38
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-ethylhexanediamide?
The IUPAC name of N,N'-dicyano-2-ethylhexanediamide (CID 139670350) is N,N'-dicyano-2-ethylhexanediamide.
What is the SMILES notation for N,N'-dicyano-2-ethylhexanediamide?
The canonical SMILES for N,N'-dicyano-2-ethylhexanediamide is CCC(CCCC(=O)NC#N)C(=O)NC#N.
What is the InChIKey of N,N'-dicyano-2-ethylhexanediamide?
The InChIKey is NOQLNYHGZFHIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-2-8(10(16)14-7-12)4-3-5-9(15)13-6-11/h8H,2-5H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N,N'-dicyano-2-ethylhexanediamide?
N,N'-dicyano-2-ethylhexanediamide has a molecular weight of 222.25 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyano-2-ethylhexanediamide is sourced from PubChem (CID 139670350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).