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

C89H150N14O14 — CID 162067647

About 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

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 (PubChem CID 162067647) has the molecular formula C89H150N14O14 and a molecular weight of 1640.26 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162067647
• Molecular Formula: C89H150N14O14
• Molecular Weight: 1640.26 g/mol
• Exact Mass: 1639.15
• IUPAC Name: 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
• SMILES: CC(C)(C)c1c(NCCN)c(=O)c1=O.CCCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.CCCN(CC)CCNc1c(C(C)(C)C)c(=O)c1=O.CCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.CCN(CC)CCNc1c(C(C)(C)C)c(=O)c1=O.CN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.CNCCNc1c(C(C)(C)C)c(=O)c1=O
• InChI: InChI=1S/C15H26N2O2.2C14H24N2O2.C13H22N2O2.C12H20N2O2.C11H18N2O2.C10H16N2O2/c1-6-9-17(7-2)10-8-16-12-11(15(3,4)5)13(18)14(12)19;1-6-8-16(5)9-7-15-11-10(14(2,3)4)12(17)13(11)18;1-6-16(7-2)9-8-15-11-10(14(3,4)5)12(17)13(11)18;1-6-15(5)8-7-14-10-9(13(2,3)4)11(16)12(10)17;1-12(2,3)8-9(11(16)10(8)15)13-6-7-14(4)5;1-11(2,3)7-8(10(15)9(7)14)13-6-5-12-4;1-10(2,3)6-7(12-5-4-11)9(14)8(6)13/h16H,6-10H2,1-5H3;2*15H,6-9H2,1-5H3;14H,6-8H2,1-5H3;13H,6-7H2,1-5H3;12-13H,5-6H2,1-4H3;12H,4-5,11H2,1-3H3
• InChIKey: ZAQXTZMDNYYVBC-UHFFFAOYSA-N
• XLogP: 6.05
• TPSA: 377.44 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 35
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1640.26
LogP ≤ 5	6.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1c(NCCN)c(=O)c1=O.CCCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.CCCN(CC)CCNc1c(C(C)(C)C)c(=O)c1=O.CCN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.CCN(CC)CCNc1c(C(C)(C)C)c(=O)c1=O.CN(C)CCNc1c(C(C)(C)C)c(=O)c1=O.CNCCNc1c(C(C)(C)C)c(=O)c1=O.

What is the InChIKey of 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?

The InChIKey is ZAQXTZMDNYYVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2.2C14H24N2O2.C13H22N2O2.C12H20N2O2.C11H18N2O2.C10H16N2O2/c1-6-9-17(7-2)10-8-16-12-11(15(3,4)5)13(18)14(12)19;1-6-8-16(5)9-7-15-11-10(14(2,3)4)12(17)13(11)18;1-6-16(7-2)9-8-15-11-10(14(3,4)5)12(17)13(11)18;1-6-15(5)8-7-14-10-9(13(2,3)4)11(16)12(10)17;1-12(2,3)8-9(11(16)10(8)15)13-6-7-14(4)5;1-11(2,3)7-8(10(15)9(7)14)13-6-5-12-4;1-10(2,3)6-7(12-5-4-11)9(14)8(6)13/h16H,6-10H2,1-5H3;2*15H,6-9H2,1-5H3;14H,6-8H2,1-5H3;13H,6-7H2,1-5H3;12-13H,5-6H2,1-4H3;12H,4-5,11H2,1-3H3.

What are the key properties of 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?

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 has a molecular weight of 1640.26 g/mol, XLogP of 6.05, 35 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162067647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).