butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium

C54H96N8O8+4 — CID 157375359

About butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium

butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium (PubChem CID 157375359) has the molecular formula C54H96N8O8+4 and a molecular weight of 985.41 g/mol. Its IUPAC name is butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium.

Molecular Properties

• Compound Name: butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
• PubChem CID: 157375359
• Molecular Formula: C54H96N8O8+4
• Molecular Weight: 985.41 g/mol
• Exact Mass: 984.73
• IUPAC Name: butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
• SMILES: CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1
• InChI: InChI=1S/C16H28N2O2.C15H26N2O2.C13H22N2O2.C10H16N2O2/c1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9/h8-10H,4-7,11-14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;4-6H,7-8H2,1-3H3/p+4
• InChIKey: BKGMYAKIDDMWCY-UHFFFAOYSA-R
• XLogP: 8.97
• TPSA: 168.36 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.41
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?

The IUPAC name of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium (CID 157375359) is butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium.

What is the SMILES notation for butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?

The canonical SMILES for butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium is CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.

What is the InChIKey of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?

The InChIKey is BKGMYAKIDDMWCY-UHFFFAOYSA-R. The full InChI is InChI=1S/C16H28N2O2.C15H26N2O2.C13H22N2O2.C10H16N2O2/c1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9/h8-10H,4-7,11-14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-9H,4-6,10-11H2,1-3H3;4-6H,7-8H2,1-3H3/p+4.

What are the key properties of butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?

butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium has a molecular weight of 985.41 g/mol, XLogP of 8.97, 30 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium is sourced from PubChem (CID 157375359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).