butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium

C115H170N6O12+6 — CID 159096243

IUPACbutyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CC[N+](CC)(CC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)c1cccc2ccccc12.C[N+](C)(C)CCOC(=O)C1CCc2ccccc21
InChIInChI=1S/C22H32NO2.C21H30NO2.C20H32NO2.C19H26NO2.C18H28NO2.C15H22NO2/c1-4-7-16-23(6-3,15-5-2)17-18-25-22(24)21-14-10-12-19-11-8-9-13-20(19)21;1-4-14-22(6-3,15-5-2)16-17-24-21(23)20-13-9-11-18-10-7-8-12-19(18)20;1-4-13-21(6-3,14-5-2)15-16-23-20(22)19-12-11-17-9-7-8-10-18(17)19;1-4-20(5-2,6-3)14-15-22-19(21)18-13-9-11-16-10-7-8-12-17(16)18;1-4-19(5-2,6-3)13-14-21-18(20)17-12-11-15-9-7-8-10-16(15)17;1-16(2,3)10-11-18-15(17)14-9-8-12-6-4-5-7-13(12)14/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-10,19H,4-6,11-16H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;7-10,17H,4-6,11-14H2,1-3H3;4-7,14H,8-11H2,1-3H3/q6*+1
InChIKeyKCRXPAFBOMCPCG-UHFFFAOYSA-N
MW1828.65 g/mol
LogP22.59
Rot. Bonds46

About butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium

butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium (PubChem CID 159096243) has the molecular formula C115H170N6O12+6 and a molecular weight of 1828.65 g/mol. Its IUPAC name is butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium.

Molecular Properties

Compound Namebutyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
PubChem CID159096243
Molecular FormulaC115H170N6O12+6
Molecular Weight1828.65 g/mol
Exact Mass1827.28
IUPAC Namebutyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium
SMILESCCCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CC[N+](CC)(CC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)c1cccc2ccccc12.C[N+](C)(C)CCOC(=O)C1CCc2ccccc21
InChIInChI=1S/C22H32NO2.C21H30NO2.C20H32NO2.C19H26NO2.C18H28NO2.C15H22NO2/c1-4-7-16-23(6-3,15-5-2)17-18-25-22(24)21-14-10-12-19-11-8-9-13-20(19)21;1-4-14-22(6-3,15-5-2)16-17-24-21(23)20-13-9-11-18-10-7-8-12-19(18)20;1-4-13-21(6-3,14-5-2)15-16-23-20(22)19-12-11-17-9-7-8-10-18(17)19;1-4-20(5-2,6-3)14-15-22-19(21)18-13-9-11-16-10-7-8-12-17(16)18;1-4-19(5-2,6-3)13-14-21-18(20)17-12-11-15-9-7-8-10-16(15)17;1-16(2,3)10-11-18-15(17)14-9-8-12-6-4-5-7-13(12)14/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-10,19H,4-6,11-16H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;7-10,17H,4-6,11-14H2,1-3H3;4-7,14H,8-11H2,1-3H3/q6*+1
InChIKeyKCRXPAFBOMCPCG-UHFFFAOYSA-N
XLogP22.59
TPSA157.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds46
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001828.65
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
The IUPAC name of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium (CID 159096243) is butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium.
What is the SMILES notation for butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
The canonical SMILES for butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium is CCCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CCC[N+](CC)(CCC)CCOC(=O)C1CCc2ccccc21.CCC[N+](CC)(CCC)CCOC(=O)c1cccc2ccccc12.CC[N+](CC)(CC)CCOC(=O)C1CCc2ccccc21.CC[N+](CC)(CC)CCOC(=O)c1cccc2ccccc12.C[N+](C)(C)CCOC(=O)C1CCc2ccccc21.
What is the InChIKey of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
The InChIKey is KCRXPAFBOMCPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32NO2.C21H30NO2.C20H32NO2.C19H26NO2.C18H28NO2.C15H22NO2/c1-4-7-16-23(6-3,15-5-2)17-18-25-22(24)21-14-10-12-19-11-8-9-13-20(19)21;1-4-14-22(6-3,15-5-2)16-17-24-21(23)20-13-9-11-18-10-7-8-12-19(18)20;1-4-13-21(6-3,14-5-2)15-16-23-20(22)19-12-11-17-9-7-8-10-18(17)19;1-4-20(5-2,6-3)14-15-22-19(21)18-13-9-11-16-10-7-8-12-17(16)18;1-4-19(5-2,6-3)13-14-21-18(20)17-12-11-15-9-7-8-10-16(15)17;1-16(2,3)10-11-18-15(17)14-9-8-12-6-4-5-7-13(12)14/h8-14H,4-7,15-18H2,1-3H3;7-13H,4-6,14-17H2,1-3H3;7-10,19H,4-6,11-16H2,1-3H3;7-13H,4-6,14-15H2,1-3H3;7-10,17H,4-6,11-14H2,1-3H3;4-7,14H,8-11H2,1-3H3/q6*+1.
What are the key properties of butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium?
butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium has a molecular weight of 1828.65 g/mol, XLogP of 22.59, 46 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-propylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-ethyl-dipropylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-triethylazanium;2-(2,3-dihydro-1H-indene-1-carbonyloxy)ethyl-trimethylazanium;ethyl-[2-(naphthalene-1-carbonyloxy)ethyl]-dipropylazanium;triethyl-[2-(naphthalene-1-carbonyloxy)ethyl]azanium is sourced from PubChem (CID 159096243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).