butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium

C18H34NO2+ — CID 170177702

IUPACbutyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium
SMILESC/C=C\C(=C/C)C(=O)OCC[N+](CC)(CCC)CCCC
InChIInChI=1S/C18H34NO2/c1-6-11-14-19(10-5,13-8-3)15-16-21-18(20)17(9-4)12-7-2/h7,9,12H,6,8,10-11,13-16H2,1-5H3/q+1/b12-7-,17-9+
InChIKeySLDJLWRJHITHIC-LVGALYMUSA-N
MW296.48 g/mol
LogP4.10
Rot. Bonds11

About butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium

butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium (PubChem CID 170177702) has the molecular formula C18H34NO2+ and a molecular weight of 296.48 g/mol. Its IUPAC name is butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium.

Molecular Properties

Compound Namebutyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium
PubChem CID170177702
Molecular FormulaC18H34NO2+
Molecular Weight296.48 g/mol
Exact Mass296.26
IUPAC Namebutyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium
SMILESC/C=C\C(=C/C)C(=O)OCC[N+](CC)(CCC)CCCC
InChIInChI=1S/C18H34NO2/c1-6-11-14-19(10-5,13-8-3)15-16-21-18(20)17(9-4)12-7-2/h7,9,12H,6,8,10-11,13-16H2,1-5H3/q+1/b12-7-,17-9+
InChIKeySLDJLWRJHITHIC-LVGALYMUSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(S)-2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium
CID 170124321
2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;butyl-ethyl-(2-prop-2-enoyloxyethyl)-propylazanium;ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dipropylazanium;ethyl-(2-prop-2-enoyloxyethyl)-dipropylazanium;triethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;triethyl(2-prop-2-enoyloxyethyl)azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 159173358
2-[(E)-but-2-enoyl]oxyethyl-butyl-ethyl-propylazanium;2-[(E)-but-2-enoyl]oxyethyl-ethyl-dipropylazanium;2-[(E)-but-2-enoyl]oxyethyl-triethylazanium;2-[(E)-but-2-enoyl]oxyethyl-trimethylazanium;butyl-ethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-propylazanium;triethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium;trimethyl-[2-[(E)-3-phenylprop-2-enoyl]oxyethyl]azanium
CID 162025909
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
2-[(Z)-but-2-en-2-yl]oxyethyl-ethyl-dipropylazanium
CID 174009854
2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;butyl-ethyl-(2-pentanoyloxyethyl)-propylazanium;ethyl-(2-pentanoyloxyethyl)-dipropylazanium;triethyl(2-pentanoyloxyethyl)azanium;trimethyl(2-pentanoyloxyethyl)azanium
CID 164959500
dibutyl-ethyl-propylazanium hydroxide
CID 126618313
diethyl-hexadecyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 139884591
2-acetyloxyethyl-butyl-ethyl-propylazanium;2-acetyloxyethyl-ethyl-dipropylazanium;2-acetyloxyethyl(triethyl)azanium;2-acetyloxyethyl(trimethyl)azanium;2-butanoyloxyethyl-butyl-ethyl-propylazanium;2-butanoyloxyethyl-ethyl-dipropylazanium;2-butanoyloxyethyl(triethyl)azanium;2-butanoyloxyethyl(trimethyl)azanium;butyl-ethyl-(2-propanoyloxyethyl)-propylazanium;butyl-ethyl-[2-[(E)-prop-1-enoxy]ethyl]-propylazanium;ethyl-(2-propanoyloxyethyl)-dipropylazanium;ethyl-[2-[(E)-prop-1-enoxy]ethyl]-dipropylazanium;triethyl(2-propanoyloxyethyl)azanium;triethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium;trimethyl(2-propanoyloxyethyl)azanium;trimethyl-[2-[(E)-prop-1-enoxy]ethyl]azanium
CID 158368875
(Z)-4-hydroxy-4-oxobut-2-enoate;tributyl(ethyl)azanium
CID 87749569
2-dodecanoyloxyethyl-diethyl-tetradecylazanium chloride
CID 14625534
butyl-[2-(cyclopentanecarbonyloxy)ethyl]-ethyl-propylazanium;2-(cyclohexanecarbonyloxy)ethyl-triethylazanium;2-(cyclohexanecarbonyloxy)ethyl-trimethylazanium;2-(cyclopentanecarbonyloxy)ethyl-ethyl-dipropylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium
CID 159610142

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium?
The IUPAC name of butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium (CID 170177702) is butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium.
What is the SMILES notation for butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium?
The canonical SMILES for butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium is C/C=C\C(=C/C)C(=O)OCC[N+](CC)(CCC)CCCC.
What is the InChIKey of butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium?
The InChIKey is SLDJLWRJHITHIC-LVGALYMUSA-N. The full InChI is InChI=1S/C18H34NO2/c1-6-11-14-19(10-5,13-8-3)15-16-21-18(20)17(9-4)12-7-2/h7,9,12H,6,8,10-11,13-16H2,1-5H3/q+1/b12-7-,17-9+.
What are the key properties of butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium?
butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium has a molecular weight of 296.48 g/mol, XLogP of 4.10, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-ethyl-[2-[(Z,2E)-2-ethylidenepent-3-enoyl]oxyethyl]-propylazanium is sourced from PubChem (CID 170177702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).