6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium

C34H48N4O4+2 — CID 10350027

About 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium

6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium (PubChem CID 10350027) has the molecular formula C34H48N4O4+2 and a molecular weight of 576.78 g/mol. Its IUPAC name is 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium.

Molecular Properties

• Compound Name: 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium
• PubChem CID: 10350027
• Molecular Formula: C34H48N4O4+2
• Molecular Weight: 576.78 g/mol
• Exact Mass: 576.37
• IUPAC Name: 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium
• SMILES: Cc1cccc2c1C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc(C)c3C1=O)C2=O
• InChI: InChI=1S/C34H48N4O4/c1-25-15-11-17-27-29(25)33(41)35(31(27)39)19-13-23-37(3,4)21-9-7-8-10-22-38(5,6)24-14-20-36-32(40)28-18-12-16-26(2)30(28)34(36)42/h11-12,15-18H,7-10,13-14,19-24H2,1-6H3/q+2
• InChIKey: HMXRJKOINNJHNS-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.78
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium?

The IUPAC name of 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium (CID 10350027) is 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium.

What is the SMILES notation for 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium?

The canonical SMILES for 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium is Cc1cccc2c1C(=O)N(CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN1C(=O)c3cccc(C)c3C1=O)C2=O.

What is the InChIKey of 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium?

The InChIKey is HMXRJKOINNJHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N4O4/c1-25-15-11-17-27-29(25)33(41)35(31(27)39)19-13-23-37(3,4)21-9-7-8-10-22-38(5,6)24-14-20-36-32(40)28-18-12-16-26(2)30(28)34(36)42/h11-12,15-18H,7-10,13-14,19-24H2,1-6H3/q+2.

What are the key properties of 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium?

6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium has a molecular weight of 576.78 g/mol, XLogP of 4.69, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(4-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium is sourced from PubChem (CID 10350027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).