3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione

C14H24N2O2 — CID 146179851

IUPAC3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione
SMILESCCN(C)CCCNc1c(C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C14H24N2O2/c1-6-16(5)9-7-8-15-11-10(14(2,3)4)12(17)13(11)18/h15H,6-9H2,1-5H3
InChIKeyPZWXCGCSNMXRGL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds6

About 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione

3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione (PubChem CID 146179851) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione
PubChem CID146179851
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione
SMILESCCN(C)CCCNc1c(C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C14H24N2O2/c1-6-16(5)9-7-8-15-11-10(14(2,3)4)12(17)13(11)18/h15H,6-9H2,1-5H3
InChIKeyPZWXCGCSNMXRGL-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-4-[3-[methyl(propyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 153438716
2-tert-butyl-3-[4-[ethyl(methyl)amino]butylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438731
3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
CID 146180039
3-[4-[ethyl(methyl)amino]butylamino]-4-sulfanylidene-2-(2-sulfanylpropan-2-yl)cyclobut-2-en-1-one
CID 146179925
3-tert-butyl-4-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dione
CID 146179835
3-tert-butyl-2-[3-[ethyl(propyl)amino]propylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438732
3-[3-[3-(butylamino)propyl-methylamino]propylamino]-4-[3-[3-[[2-[3-[3-(butylamino)propyl-methylamino]propylamino]-3,4-dioxocyclobuten-1-yl]amino]propyl-methylamino]propylamino]cyclobut-3-ene-1,2-dione
CID 166475063
3-tert-butyl-4-[2-(methylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 146180040
3-tert-butyl-2-[4-[ethyl(methyl)amino]butyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438655
3-(2-aminoethylamino)-4-tert-butylcyclobut-3-ene-1,2-dione;3-tert-butyl-4-[2-(diethylamino)ethylamino]cyclobut-3-ene-1,2-dione;3-tert-butyl-4-[2-(dimethylamino)ethylamino]cyclobut-3-ene-1,2-dione;3-tert-butyl-4-[2-[ethyl(methyl)amino]ethylamino]cyclobut-3-ene-1,2-dione;3-tert-butyl-4-[2-[ethyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione;3-tert-butyl-4-[2-(methylamino)ethylamino]cyclobut-3-ene-1,2-dione;3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
CID 162067647
2-tert-butyl-3-[3-[ethyl(methyl)amino]propyl-methylamino]-4-sulfanylidenecyclobut-2-en-1-one;ethane
CID 155719744
3-tert-butyl-4-(2-nitrosoethylamino)cyclobut-3-ene-1,2-dione
CID 155599652

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione (CID 146179851) is 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione is CCN(C)CCCNc1c(C(C)(C)C)c(=O)c1=O.
What is the InChIKey of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is PZWXCGCSNMXRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-16(5)9-7-8-15-11-10(14(2,3)4)12(17)13(11)18/h15H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione?
3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione has a molecular weight of 252.36 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 146179851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).