2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium

C23H47N2O2+ — CID 58875575

IUPAC2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium
SMILESC=C(OCC[N+](C)(C)CC)C(C)(C)CCC(C)(CC)C(=C)OCCN(C)C
InChIInChI=1S/C23H47N2O2/c1-12-23(7,21(4)26-18-16-24(8)9)15-14-22(5,6)20(3)27-19-17-25(10,11)13-2/h3-4,12-19H2,1-2,5-11H3/q+1
InChIKeyMCNLOHPBJLQYBF-UHFFFAOYSA-N
MW383.64 g/mol
LogP4.93
Rot. Bonds15

About 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium

2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium (PubChem CID 58875575) has the molecular formula C23H47N2O2+ and a molecular weight of 383.64 g/mol. Its IUPAC name is 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium
PubChem CID58875575
Molecular FormulaC23H47N2O2+
Molecular Weight383.64 g/mol
Exact Mass383.36
IUPAC Name2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium
SMILESC=C(OCC[N+](C)(C)CC)C(C)(C)CCC(C)(CC)C(=C)OCCN(C)C
InChIInChI=1S/C23H47N2O2/c1-12-23(7,21(4)26-18-16-24(8)9)15-14-22(5,6)20(3)27-19-17-25(10,11)13-2/h3-4,12-19H2,1-2,5-11H3/q+1
InChIKeyMCNLOHPBJLQYBF-UHFFFAOYSA-N
XLogP4.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.64
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium with MolForge

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Related Compounds

2-[5-[2-(dimethylamino)ethoxy]-2-ethyl-2,4,4-trimethyl-5-oxopentanoyl]oxyethyl-trimethylazanium
CID 158569103
2-(3,3-dimethylpent-1-en-2-yloxy)-N,N-diethylethanamine
CID 18717519
2-(dimethylamino)ethyl 2,2-dimethylbutanoate;2-(2,2-dimethylbutanoyloxy)-N,N-dimethylethanamine oxide
CID 91448235
[6-[2-(dimethylamino)ethoxy]-5,5-dimethylhept-6-en-3-yl]phosphonic acid
CID 118200063
2-(4-butoxy-3,3-dimethyl-4-oxobutyl)-5-[2-(dimethylamino)ethoxycarbonyl]-5-methyl-2-propylheptanoic acid
CID 158032758
2-(4,5-dimethylhexa-1,5-dien-2-yloxy)ethyl-ethyl-dimethylazanium
CID 91361120
N-(iodomethyl)-3,3-dimethyl-4-propoxypent-4-en-1-amine
CID 144887236
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-ethyl-dimethylazanium
CID 123775918
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
2-(dimethylamino)ethyl 2-methyl-2-sulfanylbutanoate
CID 170292984
ethyl-[2-[4-[2-[ethyl(dimethyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl]-dimethylazanium diiodide
CID 18528267
2-(dimethylamino)ethyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 89069139

Frequently Asked Questions

What is the IUPAC name of 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium?
The IUPAC name of 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium (CID 58875575) is 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium.
What is the SMILES notation for 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium?
The canonical SMILES for 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium is C=C(OCC[N+](C)(C)CC)C(C)(C)CCC(C)(CC)C(=C)OCCN(C)C.
What is the InChIKey of 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium?
The InChIKey is MCNLOHPBJLQYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47N2O2/c1-12-23(7,21(4)26-18-16-24(8)9)15-14-22(5,6)20(3)27-19-17-25(10,11)13-2/h3-4,12-19H2,1-2,5-11H3/q+1.
What are the key properties of 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium?
2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium has a molecular weight of 383.64 g/mol, XLogP of 4.93, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[2-(dimethylamino)ethoxy]-6-ethyl-3,3,6-trimethylocta-1,7-dien-2-yl]oxyethyl-ethyl-dimethylazanium is sourced from PubChem (CID 58875575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).