3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione

C14H26N4O2 — CID 90665614

IUPAC3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCCNc1c(NCCCN(C)C)c(=O)c1=O
InChIInChI=1S/C14H26N4O2/c1-17(2)9-5-7-15-11-12(14(20)13(11)19)16-8-6-10-18(3)4/h15-16H,5-10H2,1-4H3
InChIKeyWXYCUOFFXHDBBU-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.01
Rot. Bonds10

About 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione

3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione (PubChem CID 90665614) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione
PubChem CID90665614
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCCNc1c(NCCCN(C)C)c(=O)c1=O
InChIInChI=1S/C14H26N4O2/c1-17(2)9-5-7-15-11-12(14(20)13(11)19)16-8-6-10-18(3)4/h15-16H,5-10H2,1-4H3
InChIKeyWXYCUOFFXHDBBU-UHFFFAOYSA-N
XLogP0.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione (CID 90665614) is 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione is CN(C)CCCNc1c(NCCCN(C)C)c(=O)c1=O.
What is the InChIKey of 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is WXYCUOFFXHDBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-17(2)9-5-7-15-11-12(14(20)13(11)19)16-8-6-10-18(3)4/h15-16H,5-10H2,1-4H3.
What are the key properties of 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione?
3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 282.39 g/mol, XLogP of 0.01, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 90665614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).