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

C16H30N4O2 — CID 86293151

IUPAC3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCCN(C)c1c(N(C)CCCN(C)C)c(=O)c1=O
InChIInChI=1S/C16H30N4O2/c1-17(2)9-7-11-19(5)13-14(16(22)15(13)21)20(6)12-8-10-18(3)4/h7-12H2,1-6H3
InChIKeyHGZSLDYSLPQDJU-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.06
Rot. Bonds10

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

3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione (PubChem CID 86293151) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione
PubChem CID86293151
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione
SMILESCN(C)CCCN(C)c1c(N(C)CCCN(C)C)c(=O)c1=O
InChIInChI=1S/C16H30N4O2/c1-17(2)9-7-11-19(5)13-14(16(22)15(13)21)20(6)12-8-10-18(3)4/h7-12H2,1-6H3
InChIKeyHGZSLDYSLPQDJU-UHFFFAOYSA-N
XLogP0.06
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(Butylamino)-4-[3-(dibutylamino)propylamino]cyclobut-3-ene-1,2-dione
CID 76311114
3-(Butylamino)-4-[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione
CID 76325618
3-(Dimethylamino)-4-[3-isothiocyanatopropyl(methyl)amino]cyclobut-3-ene-1,2-dione
CID 75202265
6,19-Dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone
CID 46840837
3-[3-(Dimethylamino)propylamino]-4-[3-[[2-[3-(dimethylamino)propylamino]-3,4-dioxocyclobuten-1-yl]amino]propylamino]cyclobut-3-ene-1,2-dione
CID 76318300
3-[3-(Dimethylamino)propyl-methylamino]-4-(ethylamino)cyclobut-3-ene-1,2-dione
CID 155034424
3-Amino-4-[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione
CID 155054644
3-[3-(Dimethylamino)propyl-methylamino]-4-[3-[3-[[2-[3-(dimethylamino)propyl-methylamino]-3,4-dioxocyclobuten-1-yl]amino]propyl-methylamino]propylamino]cyclobut-3-ene-1,2-dione
CID 155552090
3,4-Bis(dimethylamino)-3-cyclobutene-1,2-dione
CID 597740
3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione
CID 394542
3,4-Bis[2-(diethylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 90665613
3,4-Bis[3-(dimethylamino)propylamino]cyclobut-3-ene-1,2-dione
CID 90665614

Frequently Asked Questions

What is the IUPAC name of 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione (CID 86293151) is 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione is CN(C)CCCN(C)c1c(N(C)CCCN(C)C)c(=O)c1=O.
What is the InChIKey of 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is HGZSLDYSLPQDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-17(2)9-7-11-19(5)13-14(16(22)15(13)21)20(6)12-8-10-18(3)4/h7-12H2,1-6H3.
What are the key properties of 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione?
3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 310.44 g/mol, XLogP of 0.06, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[3-(dimethylamino)propyl-methylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 86293151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).