butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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

C77H132N8O16+6 — CID 157263650

IUPACbutyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.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/C16H28NO3.C15H26NO3.C13H22N2O2.C13H22NO3.C10H16N2O2.C10H16NO3/c1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;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/h8-9,13H,4-7,10-12,14H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;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/q2*+1;;+1;;+1/p+2
InChIKeyAXTCTLBGZLROSX-UHFFFAOYSA-P
MW1425.94 g/mol
LogP12.96
Rot. Bonds41

About butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 157263650) has the molecular formula C77H132N8O16+6 and a molecular weight of 1425.94 g/mol. Its IUPAC name is butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 CID157263650
Molecular FormulaC77H132N8O16+6
Molecular Weight1425.94 g/mol
Exact Mass1424.97
IUPAC Namebutyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.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/C16H28NO3.C15H26NO3.C13H22N2O2.C13H22NO3.C10H16N2O2.C10H16NO3/c1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;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/h8-9,13H,4-7,10-12,14H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;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/q2*+1;;+1;;+1/p+2
InChIKeyAXTCTLBGZLROSX-UHFFFAOYSA-P
XLogP12.96
TPSA241.94 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds41
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.94
LogP ≤ 512.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 157263650) is butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 CCCC[N+](CC)(CCC)CCOC(=O)c1ccco1.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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 AXTCTLBGZLROSX-UHFFFAOYSA-P. The full InChI is InChI=1S/C16H28NO3.C15H26NO3.C13H22N2O2.C13H22NO3.C10H16N2O2.C10H16NO3/c1-4-7-11-17(6-3,10-5-2)12-14-20-16(18)15-9-8-13-19-15;1-4-9-16(6-3,10-5-2)11-13-19-15(17)14-8-7-12-18-14;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/h8-9,13H,4-7,10-12,14H2,1-3H3;7-8,12H,4-6,9-11,13H2,1-3H3;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/q2*+1;;+1;;+1/p+2.
What are the key properties of butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 1425.94 g/mol, XLogP of 12.96, 41 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-[2-(furan-2-carbonyloxy)ethyl]-propylazanium;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 157263650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).