3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione

C92H160N12S12 — CID 167673286

About 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione

3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione (PubChem CID 167673286) has the molecular formula C92H160N12S12 and a molecular weight of 1819.18 g/mol. Its IUPAC name is 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

• Compound Name: 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
• PubChem CID: 167673286
• Molecular Formula: C92H160N12S12
• Molecular Weight: 1819.18 g/mol
• Exact Mass: 1816.95
• IUPAC Name: 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione
• SMILES: CCCN(C)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CCCN(CC)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CCN(C)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CCN(CC)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CN(C)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CNCCCCN(C)c1c(C(C)(C)C)c(=S)c1=S
• InChI: InChI=1S/C17H30N2S2.2C16H28N2S2.C15H26N2S2.2C14H24N2S2/c1-6-11-19(7-2)12-9-8-10-18-14-13(17(3,4)5)15(20)16(14)21;1-6-10-18(5)11-8-7-9-17-13-12(16(2,3)4)14(19)15(13)20;1-6-18(7-2)11-9-8-10-17-13-12(16(3,4)5)14(19)15(13)20;1-6-17(5)10-8-7-9-16-12-11(15(2,3)4)13(18)14(12)19;1-14(2,3)10-11(13(18)12(10)17)15-8-6-7-9-16(4)5;1-14(2,3)10-11(13(18)12(10)17)16(5)9-7-6-8-15-4/h18H,6-12H2,1-5H3;2*17H,6-11H2,1-5H3;16H,6-10H2,1-5H3;2*15H,6-9H2,1-5H3
• InChIKey: ULELESGZHFMRKB-UHFFFAOYSA-N
• XLogP: 27.24
• TPSA: 91.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 44
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.18
LogP ≤ 5	27.24
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?

The IUPAC name of 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione (CID 167673286) is 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione.

What is the SMILES notation for 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?

The canonical SMILES for 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione is CCCN(C)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CCCN(CC)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CCN(C)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CCN(CC)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CN(C)CCCCNc1c(C(C)(C)C)c(=S)c1=S.CNCCCCN(C)c1c(C(C)(C)C)c(=S)c1=S.

What is the InChIKey of 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?

The InChIKey is ULELESGZHFMRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S2.2C16H28N2S2.C15H26N2S2.2C14H24N2S2/c1-6-11-19(7-2)12-9-8-10-18-14-13(17(3,4)5)15(20)16(14)21;1-6-10-18(5)11-8-7-9-17-13-12(16(2,3)4)14(19)15(13)20;1-6-18(7-2)11-9-8-10-17-13-12(16(3,4)5)14(19)15(13)20;1-6-17(5)10-8-7-9-16-12-11(15(2,3)4)13(18)14(12)19;1-14(2,3)10-11(13(18)12(10)17)15-8-6-7-9-16(4)5;1-14(2,3)10-11(13(18)12(10)17)16(5)9-7-6-8-15-4/h18H,6-12H2,1-5H3;2*17H,6-11H2,1-5H3;16H,6-10H2,1-5H3;2*15H,6-9H2,1-5H3.

What are the key properties of 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione?

3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione has a molecular weight of 1819.18 g/mol, XLogP of 27.24, 44 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-4-[4-(diethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-(dimethylamino)butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(methyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[ethyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[methyl-[4-(methylamino)butyl]amino]cyclobut-3-ene-1,2-dithione;3-tert-butyl-4-[4-[methyl(propyl)amino]butylamino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 167673286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).