butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium

C129H274N10O20+10 — CID 157137117

IUPACbutyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium
SMILESCC(C)(C)C(=O)OCC[N+](C)(C)C.CC(C)C(=O)OCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOC(=O)C(C)(C)C.CCCC[N+](CC)(CCC)CCOC(=O)C(C)C.CCC[N+](CC)(CCC)CCOC(=O)C(C)(C)C.CCC[N+](CC)(CCC)CCOC(=O)C(C)C.CC[N+](CC)(CC)CCOC(=O)C(C)(C)C.CC[N+](CC)(CC)CCOC(=O)C(C)C.CC[N+](CC)(CC)CCOC(=O)C1CCCC1.C[N+](C)(C)CCOC(=O)C1CCCC1
InChIInChI=1S/C16H34NO2.2C15H32NO2.C14H28NO2.C14H30NO2.C13H28NO2.C12H26NO2.C11H22NO2.C10H22NO2.C9H20NO2/c1-7-10-12-17(9-3,11-8-2)13-14-19-15(18)16(4,5)6;1-7-10-16(9-3,11-8-2)12-13-18-14(17)15(4,5)6;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-4-15(5-2,6-3)11-12-17-14(16)13-9-7-8-10-13;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;1-7-14(8-2,9-3)10-11-16-12(15)13(4,5)6;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-12(2,3)8-9-14-11(13)10-6-4-5-7-10;1-10(2,3)9(12)13-8-7-11(4,5)6;1-8(2)9(11)12-7-6-10(3,4)5/h7-14H2,1-6H3;7-13H2,1-6H3;14H,6-13H2,1-5H3;13H,4-12H2,1-3H3;13H,6-12H2,1-5H3;7-11H2,1-6H3;11H,6-10H2,1-5H3;10H,4-9H2,1-3H3;7-8H2,1-6H3;8H,6-7H2,1-5H3/q10*+1
InChIKeyAJTCYYYUJWTRRR-UHFFFAOYSA-N
MW2285.66 g/mol
LogP23.64
Rot. Bonds67

About butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium

butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium (PubChem CID 157137117) has the molecular formula C129H274N10O20+10 and a molecular weight of 2285.66 g/mol. Its IUPAC name is butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium
PubChem CID157137117
Molecular FormulaC129H274N10O20+10
Molecular Weight2285.66 g/mol
Exact Mass2284.07
IUPAC Namebutyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium
SMILESCC(C)(C)C(=O)OCC[N+](C)(C)C.CC(C)C(=O)OCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOC(=O)C(C)(C)C.CCCC[N+](CC)(CCC)CCOC(=O)C(C)C.CCC[N+](CC)(CCC)CCOC(=O)C(C)(C)C.CCC[N+](CC)(CCC)CCOC(=O)C(C)C.CC[N+](CC)(CC)CCOC(=O)C(C)(C)C.CC[N+](CC)(CC)CCOC(=O)C(C)C.CC[N+](CC)(CC)CCOC(=O)C1CCCC1.C[N+](C)(C)CCOC(=O)C1CCCC1
InChIInChI=1S/C16H34NO2.2C15H32NO2.C14H28NO2.C14H30NO2.C13H28NO2.C12H26NO2.C11H22NO2.C10H22NO2.C9H20NO2/c1-7-10-12-17(9-3,11-8-2)13-14-19-15(18)16(4,5)6;1-7-10-16(9-3,11-8-2)12-13-18-14(17)15(4,5)6;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-4-15(5-2,6-3)11-12-17-14(16)13-9-7-8-10-13;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;1-7-14(8-2,9-3)10-11-16-12(15)13(4,5)6;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-12(2,3)8-9-14-11(13)10-6-4-5-7-10;1-10(2,3)9(12)13-8-7-11(4,5)6;1-8(2)9(11)12-7-6-10(3,4)5/h7-14H2,1-6H3;7-13H2,1-6H3;14H,6-13H2,1-5H3;13H,4-12H2,1-3H3;13H,6-12H2,1-5H3;7-11H2,1-6H3;11H,6-10H2,1-5H3;10H,4-9H2,1-3H3;7-8H2,1-6H3;8H,6-7H2,1-5H3/q10*+1
InChIKeyAJTCYYYUJWTRRR-UHFFFAOYSA-N
XLogP23.64
TPSA263.00 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds67
Heavy Atoms159
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002285.66
LogP ≤ 523.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium?
The IUPAC name of butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium (CID 157137117) is butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium.
What is the SMILES notation for butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium?
The canonical SMILES for butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium is CC(C)(C)C(=O)OCC[N+](C)(C)C.CC(C)C(=O)OCC[N+](C)(C)C.CCCC[N+](CC)(CCC)CCOC(=O)C(C)(C)C.CCCC[N+](CC)(CCC)CCOC(=O)C(C)C.CCC[N+](CC)(CCC)CCOC(=O)C(C)(C)C.CCC[N+](CC)(CCC)CCOC(=O)C(C)C.CC[N+](CC)(CC)CCOC(=O)C(C)(C)C.CC[N+](CC)(CC)CCOC(=O)C(C)C.CC[N+](CC)(CC)CCOC(=O)C1CCCC1.C[N+](C)(C)CCOC(=O)C1CCCC1.
What is the InChIKey of butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium?
The InChIKey is AJTCYYYUJWTRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NO2.2C15H32NO2.C14H28NO2.C14H30NO2.C13H28NO2.C12H26NO2.C11H22NO2.C10H22NO2.C9H20NO2/c1-7-10-12-17(9-3,11-8-2)13-14-19-15(18)16(4,5)6;1-7-10-16(9-3,11-8-2)12-13-18-14(17)15(4,5)6;1-6-9-11-16(8-3,10-7-2)12-13-18-15(17)14(4)5;1-4-15(5-2,6-3)11-12-17-14(16)13-9-7-8-10-13;1-6-9-15(8-3,10-7-2)11-12-17-14(16)13(4)5;1-7-14(8-2,9-3)10-11-16-12(15)13(4,5)6;1-6-13(7-2,8-3)9-10-15-12(14)11(4)5;1-12(2,3)8-9-14-11(13)10-6-4-5-7-10;1-10(2,3)9(12)13-8-7-11(4,5)6;1-8(2)9(11)12-7-6-10(3,4)5/h7-14H2,1-6H3;7-13H2,1-6H3;14H,6-13H2,1-5H3;13H,4-12H2,1-3H3;13H,6-12H2,1-5H3;7-11H2,1-6H3;11H,6-10H2,1-5H3;10H,4-9H2,1-3H3;7-8H2,1-6H3;8H,6-7H2,1-5H3/q10*+1.
What are the key properties of butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium?
butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium has a molecular weight of 2285.66 g/mol, XLogP of 23.64, 67 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[2-(2,2-dimethylpropanoyloxy)ethyl]-ethyl-propylazanium;butyl-ethyl-[2-(2-methylpropanoyloxy)ethyl]-propylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-ethyl-dipropylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-triethylazanium;2-(2,2-dimethylpropanoyloxy)ethyl-trimethylazanium;ethyl-[2-(2-methylpropanoyloxy)ethyl]-dipropylazanium;triethyl-[2-(2-methylpropanoyloxy)ethyl]azanium;trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium is sourced from PubChem (CID 157137117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).