3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione

C11H18N2O2 — CID 139376646

IUPAC3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
SMILESCCCN(C)CCNc1c(C)c(=O)c1=O
InChIInChI=1S/C11H18N2O2/c1-4-6-13(3)7-5-12-9-8(2)10(14)11(9)15/h12H,4-7H2,1-3H3
InChIKeyAIPYOLRVDOBBFO-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.34
Rot. Bonds6

About 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione

3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione (PubChem CID 139376646) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
PubChem CID139376646
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
SMILESCCCN(C)CCNc1c(C)c(=O)c1=O
InChIInChI=1S/C11H18N2O2/c1-4-6-13(3)7-5-12-9-8(2)10(14)11(9)15/h12H,4-7H2,1-3H3
InChIKeyAIPYOLRVDOBBFO-UHFFFAOYSA-N
XLogP0.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Butylamino)-4-[2-(dimethylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 76318299
2-[[2-(Butylamino)-3,4-dioxocyclobuten-1-yl]amino]ethyl-trimethylazanium iodide
CID 76311115
Bis([1,2,3]triazolo)[1,5-a:5',1'-k][1,10]phenanthroline
CID 90665612
3,4-Bis[2-(diethylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 90665613
2-[[2-(Butylamino)-3,4-dioxocyclobuten-1-yl]amino]ethyl-trimethylazanium
CID 76311116
3-Methyl-4-(4-methylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 22952987
3-(Ethylamino)-4-methylcyclobut-3-ene-1,2-dione
CID 23564119
3-Tert-butyl-4-piperazin-1-ylcyclobut-3-ene-1,2-dione
CID 57590478
3-Butyl-4-piperazin-1-ylcyclobut-3-ene-1,2-dione
CID 57590499
3-[[(2S)-2-amino-3,3-dimethylbutyl]amino]-4-tert-butylcyclobut-3-ene-1,2-dione
CID 57981969
3-[[(2S)-2-amino-3,3-dimethylbutyl]amino]-4-methylcyclobut-3-ene-1,2-dione
CID 57982012
3-Methyl-4-[2-methylpropyl(tritio)amino]cyclobut-3-ene-1,2-dione
CID 57982014

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione (CID 139376646) is 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione is CCCN(C)CCNc1c(C)c(=O)c1=O.
What is the InChIKey of 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is AIPYOLRVDOBBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6-13(3)7-5-12-9-8(2)10(14)11(9)15/h12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 210.28 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 139376646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).