3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium

C81H180N12+6 — CID 162288846

About 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium

3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium (PubChem CID 162288846) has the molecular formula C81H180N12+6 and a molecular weight of 1322.41 g/mol. Its IUPAC name is 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium.

Molecular Properties

• Compound Name: 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
• PubChem CID: 162288846
• Molecular Formula: C81H180N12+6
• Molecular Weight: 1322.41 g/mol
• Exact Mass: 1321.44
• IUPAC Name: 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium
• SMILES: CCC(C)(C)N1CC(C)(C)[N+](CC)(CC)C1.CCC(C)(C)N1C[N+](CC)(CC)C(C)C1C.CCC(C)(C)N1C[N+](CC)(CC)CC1(C)C.CC[N+]1(CC)CN(C(C)(C)C)C(C)(C)C1.CC[N+]1(CC)CN(C(C)(C)C)C(C)C1C.CC[N+]1(CC)CN(C(C)(C)C)CC1(C)C
• InChI: InChI=1S/3C14H31N2.3C13H29N2/c1-8-13(4,5)15-12-16(9-2,10-3)11-14(15,6)7;1-8-13(4,5)15-11-14(6,7)16(9-2,10-3)12-15;1-8-14(6,7)15-11-16(9-2,10-3)13(5)12(15)4;1-8-15(9-2)10-13(6,7)14(11-15)12(3,4)5;1-8-15(9-2)11-14(12(3,4)5)10-13(15,6)7;1-8-15(9-2)10-14(13(5,6)7)11(3)12(15)4/h2*8-12H2,1-7H3;12-13H,8-11H2,1-7H3;2*8-11H2,1-7H3;11-12H,8-10H2,1-7H3/q6*+1
• InChIKey: PDMSGTGNRMNYLR-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1322.41
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?

The IUPAC name of 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium (CID 162288846) is 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium.

What is the SMILES notation for 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?

The canonical SMILES for 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium is CCC(C)(C)N1CC(C)(C)[N+](CC)(CC)C1.CCC(C)(C)N1C[N+](CC)(CC)C(C)C1C.CCC(C)(C)N1C[N+](CC)(CC)CC1(C)C.CC[N+]1(CC)CN(C(C)(C)C)C(C)(C)C1.CC[N+]1(CC)CN(C(C)(C)C)C(C)C1C.CC[N+]1(CC)CN(C(C)(C)C)CC1(C)C.

What is the InChIKey of 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?

The InChIKey is PDMSGTGNRMNYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H31N2.3C13H29N2/c1-8-13(4,5)15-12-16(9-2,10-3)11-14(15,6)7;1-8-13(4,5)15-11-14(6,7)16(9-2,10-3)12-15;1-8-14(6,7)15-11-16(9-2,10-3)13(5)12(15)4;1-8-15(9-2)10-13(6,7)14(11-15)12(3,4)5;1-8-15(9-2)11-14(12(3,4)5)10-13(15,6)7;1-8-15(9-2)10-14(13(5,6)7)11(3)12(15)4/h2*8-12H2,1-7H3;12-13H,8-11H2,1-7H3;2*8-11H2,1-7H3;11-12H,8-10H2,1-7H3/q6*+1.

What are the key properties of 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium?

3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium has a molecular weight of 1322.41 g/mol, XLogP of 17.33, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1,1-diethyl-4,4-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-4,5-dimethylimidazolidin-1-ium;3-tert-butyl-1,1-diethyl-5,5-dimethylimidazolidin-1-ium;1,1-diethyl-4,4-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-4,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium;1,1-diethyl-5,5-dimethyl-3-(2-methylbutan-2-yl)imidazolidin-1-ium is sourced from PubChem (CID 162288846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).