(E)-N,N'-diethylhex-3-enediamide

C10H18N2O2 — CID 59102602

IUPAC(E)-N,N'-diethylhex-3-enediamide
SMILESCCNC(=O)C/C=C/CC(=O)NCC
InChIInChI=1S/C10H18N2O2/c1-3-11-9(13)7-5-6-8-10(14)12-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyAWLBJQJGYNWNKF-AATRIKPKSA-N
MW198.27 g/mol
LogP0.60
Rot. Bonds6

About (E)-N,N'-diethylhex-3-enediamide

(E)-N,N'-diethylhex-3-enediamide (PubChem CID 59102602) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-N,N'-diethylhex-3-enediamide.

Molecular Properties

Compound Name(E)-N,N'-diethylhex-3-enediamide
PubChem CID59102602
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-N,N'-diethylhex-3-enediamide
SMILESCCNC(=O)C/C=C/CC(=O)NCC
InChIInChI=1S/C10H18N2O2/c1-3-11-9(13)7-5-6-8-10(14)12-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyAWLBJQJGYNWNKF-AATRIKPKSA-N
XLogP0.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-diethylhex-3-enediamide?
The IUPAC name of (E)-N,N'-diethylhex-3-enediamide (CID 59102602) is (E)-N,N'-diethylhex-3-enediamide.
What is the SMILES notation for (E)-N,N'-diethylhex-3-enediamide?
The canonical SMILES for (E)-N,N'-diethylhex-3-enediamide is CCNC(=O)C/C=C/CC(=O)NCC.
What is the InChIKey of (E)-N,N'-diethylhex-3-enediamide?
The InChIKey is AWLBJQJGYNWNKF-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-11-9(13)7-5-6-8-10(14)12-4-2/h5-6H,3-4,7-8H2,1-2H3,(H,11,13)(H,12,14)/b6-5+.
What are the key properties of (E)-N,N'-diethylhex-3-enediamide?
(E)-N,N'-diethylhex-3-enediamide has a molecular weight of 198.27 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diethylhex-3-enediamide is sourced from PubChem (CID 59102602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).