butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium

C123H216N13O22+9 — CID 165020778

IUPACbutyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
SMILESCC#CC(=O)OCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1
InChIInChI=1S/C16H28N2O2.C16H28NO3.C15H26N2O2.C15H26NO3.C15H28NO2.C13H22N2O2.C13H22NO3.C10H16N2O2.C10H16NO3/c1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-4-14(5-2,6-3)9-11-17-13(15)12-8-7-10-16-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-8-14-10(12)9-5-4-7-13-9/h8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;5,7-9,11-14H2,1-4H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3/q;+1;;2*+1;;+1;;+1/p+4
InChIKeyLCWMNCIROKKLHU-UHFFFAOYSA-R
MW2229.15 g/mol
LogP21.60
Rot. Bonds69

About butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium

butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium (PubChem CID 165020778) has the molecular formula C123H216N13O22+9 and a molecular weight of 2229.15 g/mol. Its IUPAC name is butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
PubChem CID165020778
Molecular FormulaC123H216N13O22+9
Molecular Weight2229.15 g/mol
Exact Mass2227.61
IUPAC Namebutyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium
SMILESCC#CC(=O)OCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1
InChIInChI=1S/C16H28N2O2.C16H28NO3.C15H26N2O2.C15H26NO3.C15H28NO2.C13H22N2O2.C13H22NO3.C10H16N2O2.C10H16NO3/c1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-4-14(5-2,6-3)9-11-17-13(15)12-8-7-10-16-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-8-14-10(12)9-5-4-7-13-9/h8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;5,7-9,11-14H2,1-4H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3/q;+1;;2*+1;;+1;;+1/p+4
InChIKeyLCWMNCIROKKLHU-UHFFFAOYSA-R
XLogP21.60
TPSA352.42 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds69
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002229.15
LogP ≤ 521.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-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-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium (CID 165020778) is butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-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-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-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-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium is CC#CC(=O)OCC[N+](CC)(CCC)CCCC.CCCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CCC[N+](CC)(CCC)CCOC(=O)c1ccc[nH]1.CCC[N+](CC)(CCC)CCOC(=O)c1ccco1.CC[N+](CC)(CC)CCOC(=O)c1ccc[nH]1.CC[N+](CC)(CC)CCOC(=O)c1ccco1.C[N+](C)(C)CCOC(=O)c1ccc[nH]1.C[N+](C)(C)CCOC(=O)c1ccco1.
What is the InChIKey of butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?
The InChIKey is LCWMNCIROKKLHU-UHFFFAOYSA-R. The full InChI is InChI=1S/C16H28N2O2.C16H28NO3.C15H26N2O2.C15H26NO3.C15H28NO2.C13H22N2O2.C13H22NO3.C10H16N2O2.C10H16NO3/c1-4-7-12-18(6-3,11-5-2)13-14-20-16(19)15-9-8-10-17-15;1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-10-17(6-3,11-5-2)12-13-19-15(18)14-8-7-9-16-14;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;1-5-9-12-16(8-4,11-7-3)13-14-18-15(17)10-6-2;1-4-15(5-2,6-3)10-11-17-13(16)12-8-7-9-14-12;1-4-14(5-2,6-3)9-11-17-13(15)12-8-7-10-16-12;1-12(2,3)7-8-14-10(13)9-5-4-6-11-9;1-11(2,3)6-8-14-10(12)9-5-4-7-13-9/h8-10H,4-7,11-14H2,1-3H3;8-9,13H,4-7,10-12,14H2,1-3H3;7-9H,4-6,10-13H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;5,7-9,11-14H2,1-4H3;7-9H,4-6,10-11H2,1-3H3;7-8,10H,4-6,9,11H2,1-3H3;4-6H,7-8H2,1-3H3;4-5,7H,6,8H2,1-3H3/q;+1;;2*+1;;+1;;+1/p+4.
What are the key properties of butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-2-carbonyloxy)ethyl]azanium;triethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;trimethyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium?
butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-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 2229.15 g/mol, XLogP of 21.60, 69 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(2-but-2-ynoyloxyethyl)-ethyl-propylazanium;butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;butyl-ethyl-propyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-dipropyl-[2-(1H-pyrrole-2-carbonyloxy)ethyl]azanium;ethyl-[2-(furan-2-carbonyloxy)ethyl]-dipropylazanium;2-(furan-2-carbonyloxy)ethyl-trimethylazanium;triethyl-[2-(furan-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 165020778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).