2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione

C10H14N2O2 — CID 21238366

IUPAC2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
SMILESCCNC1=CC(=O)C(NCC)=CC1=O
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-10(14)8(12-4-2)6-9(7)13/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNEIWVIAXZGCRGM-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.12
Rot. Bonds4

About 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione

2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione (PubChem CID 21238366) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
PubChem CID21238366
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione
SMILESCCNC1=CC(=O)C(NCC)=CC1=O
InChIInChI=1S/C10H14N2O2/c1-3-11-7-5-10(14)8(12-4-2)6-9(7)13/h5-6,11-12H,3-4H2,1-2H3
InChIKeyNEIWVIAXZGCRGM-UHFFFAOYSA-N
XLogP0.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione (CID 21238366) is 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione is CCNC1=CC(=O)C(NCC)=CC1=O.
What is the InChIKey of 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is NEIWVIAXZGCRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-11-7-5-10(14)8(12-4-2)6-9(7)13/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione?
2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethylamino)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 21238366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).