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

C14H24N2O2 — CID 146180039

IUPAC3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
SMILESCCCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C14H24N2O2/c1-6-8-16(5)9-7-15-11-10(14(2,3)4)12(17)13(11)18/h15H,6-9H2,1-5H3
InChIKeyADXFEVQLPKXNJW-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds6

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

3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione (PubChem CID 146180039) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
PubChem CID146180039
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
SMILESCCCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O
InChIInChI=1S/C14H24N2O2/c1-6-8-16(5)9-7-15-11-10(14(2,3)4)12(17)13(11)18/h15H,6-9H2,1-5H3
InChIKeyADXFEVQLPKXNJW-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': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-tert-butyl-4-[3-[methyl(propyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 153438716
3-tert-butyl-4-[3-[ethyl(methyl)amino]propylamino]cyclobut-3-ene-1,2-dione
CID 146179851
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
3-tert-butyl-4-[2-[2-(dimethylamino)ethoxy]ethylamino]cyclobut-3-ene-1,2-dione
CID 146179835
3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
CID 153438719
3-tert-butyl-4-[2-(methylamino)ethylamino]cyclobut-3-ene-1,2-dione
CID 146180040
2-(2-aminoethylamino)-3-tert-butyl-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-(diethylamino)ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-(dimethylamino)ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-(dipropylamino)ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[ethyl(methyl)amino]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[ethyl(propyl)amino]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-(methylamino)ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[methyl(propyl)amino]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 167668300
2-tert-butyl-3-[4-[ethyl(methyl)amino]butylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438731
3-tert-butyl-4-(2-nitrosoethylamino)cyclobut-3-ene-1,2-dione
CID 155599652
3-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione
CID 156818276
3-tert-butyl-2-[2-[2-(diethylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-(dipropylamino)ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-[ethyl(methyl)amino]ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-[ethyl(propyl)amino]ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one;3-tert-butyl-2-[2-[2-[methyl(propyl)amino]ethoxy]ethylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 167700282
3-tert-butyl-2-[3-[ethyl(propyl)amino]propylamino]-4-sulfanylidenecyclobut-2-en-1-one
CID 153438732

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione (CID 146180039) is 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione is CCCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.
What is the InChIKey of 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
The InChIKey is ADXFEVQLPKXNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-6-8-16(5)9-7-15-11-10(14(2,3)4)12(17)13(11)18/h15H,6-9H2,1-5H3.
What are the key properties of 3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione?
3-tert-butyl-4-[2-[methyl(propyl)amino]ethylamino]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-[2-[methyl(propyl)amino]ethylamino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 146180039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).