3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione

C81H134N8S12 — CID 159635294

About 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione

3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione (PubChem CID 159635294) has the molecular formula C81H134N8S12 and a molecular weight of 1604.82 g/mol. Its IUPAC name is 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione.

Molecular Properties

• Compound Name: 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione
• PubChem CID: 159635294
• Molecular Formula: C81H134N8S12
• Molecular Weight: 1604.82 g/mol
• Exact Mass: 1602.74
• IUPAC Name: 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione
• SMILES: CCN(C)c1c(CCCC(C)(C)C)c(=S)c1=S.CCN(CC)c1c(CCCC(C)(C)C)c(=S)c1=S.CCNc1c(CCCC(C)(C)C)c(=S)c1=S.CCNc1c(N(C)CCC(C)(C)C)c(=S)c1=S.CN(C)c1c(CCCC(C)(C)C)c(=S)c1=S.CN(C)c1c(N(C)CCC(C)(C)C)c(=S)c1=S
• InChI: InChI=1S/C15H25NS2.C14H23NS2.2C13H22N2S2.2C13H21NS2/c1-6-16(7-2)12-11(13(17)14(12)18)9-8-10-15(3,4)5;1-6-15(5)11-10(12(16)13(11)17)8-7-9-14(2,3)4;1-13(2,3)7-8-15(6)10-9(14(4)5)11(16)12(10)17;1-6-14-9-10(12(17)11(9)16)15(5)8-7-13(2,3)4;1-13(2,3)8-6-7-9-10(14(4)5)12(16)11(9)15;1-5-14-10-9(11(15)12(10)16)7-6-8-13(2,3)4/h6-10H2,1-5H3;6-9H2,1-5H3;7-8H2,1-6H3;14H,6-8H2,1-5H3;6-8H2,1-5H3;14H,5-8H2,1-4H3
• InChIKey: MPQVJNGMYBJHSJ-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 43.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1604.82
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione?

The IUPAC name of 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione (CID 159635294) is 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione.

What is the SMILES notation for 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione?

The canonical SMILES for 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione is CCN(C)c1c(CCCC(C)(C)C)c(=S)c1=S.CCN(CC)c1c(CCCC(C)(C)C)c(=S)c1=S.CCNc1c(CCCC(C)(C)C)c(=S)c1=S.CCNc1c(N(C)CCC(C)(C)C)c(=S)c1=S.CN(C)c1c(CCCC(C)(C)C)c(=S)c1=S.CN(C)c1c(N(C)CCC(C)(C)C)c(=S)c1=S.

What is the InChIKey of 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione?

The InChIKey is MPQVJNGMYBJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NS2.C14H23NS2.2C13H22N2S2.2C13H21NS2/c1-6-16(7-2)12-11(13(17)14(12)18)9-8-10-15(3,4)5;1-6-15(5)11-10(12(16)13(11)17)8-7-9-14(2,3)4;1-13(2,3)7-8-15(6)10-9(14(4)5)11(16)12(10)17;1-6-14-9-10(12(17)11(9)16)15(5)8-7-13(2,3)4;1-13(2,3)8-6-7-9-10(14(4)5)12(16)11(9)15;1-5-14-10-9(11(15)12(10)16)7-6-8-13(2,3)4/h6-10H2,1-5H3;6-9H2,1-5H3;7-8H2,1-6H3;14H,6-8H2,1-5H3;6-8H2,1-5H3;14H,5-8H2,1-4H3.

What are the key properties of 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione?

3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione has a molecular weight of 1604.82 g/mol, XLogP of 27.64, 29 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(diethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-[3,3-dimethylbutyl(methyl)amino]cyclobut-3-ene-1,2-dithione;3-(dimethylamino)-4-(4,4-dimethylpentyl)cyclobut-3-ene-1,2-dithione;3-[3,3-dimethylbutyl(methyl)amino]-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-(ethylamino)cyclobut-3-ene-1,2-dithione;3-(4,4-dimethylpentyl)-4-[ethyl(methyl)amino]cyclobut-3-ene-1,2-dithione is sourced from PubChem (CID 159635294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).