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

C14H24N4O2 — CID 21238367

IUPAC2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione
SMILESCN(C)CCNC1=CC(=O)C(NCCN(C)C)=CC1=O
InChIInChI=1S/C14H24N4O2/c1-17(2)7-5-15-11-9-14(20)12(10-13(11)19)16-6-8-18(3)4/h9-10,15-16H,5-8H2,1-4H3
InChIKeyVCDDFLCMKOUAAO-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.79
Rot. Bonds8

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

2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione (PubChem CID 21238367) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione
PubChem CID21238367
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione
SMILESCN(C)CCNC1=CC(=O)C(NCCN(C)C)=CC1=O
InChIInChI=1S/C14H24N4O2/c1-17(2)7-5-15-11-9-14(20)12(10-13(11)19)16-6-8-18(3)4/h9-10,15-16H,5-8H2,1-4H3
InChIKeyVCDDFLCMKOUAAO-UHFFFAOYSA-N
XLogP-0.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione (CID 21238367) is 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione is CN(C)CCNC1=CC(=O)C(NCCN(C)C)=CC1=O.
What is the InChIKey of 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is VCDDFLCMKOUAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(2)7-5-15-11-9-14(20)12(10-13(11)19)16-6-8-18(3)4/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione?
2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 280.37 g/mol, XLogP of -0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[2-(dimethylamino)ethylamino]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 21238367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).