2-(1-adamantyloxy)ethyl-triethylazanium

C18H34NO+ — CID 3041517

IUPAC2-(1-adamantyloxy)ethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H34NO/c1-4-19(5-2,6-3)7-8-20-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17H,4-14H2,1-3H3/q+1
InChIKeyWYVPPTYATHNJGR-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.85
Rot. Bonds7

About 2-(1-adamantyloxy)ethyl-triethylazanium

2-(1-adamantyloxy)ethyl-triethylazanium (PubChem CID 3041517) has the molecular formula C18H34NO+ and a molecular weight of 280.48 g/mol. Its IUPAC name is 2-(1-adamantyloxy)ethyl-triethylazanium.

Molecular Properties

Compound Name2-(1-adamantyloxy)ethyl-triethylazanium
PubChem CID3041517
Molecular FormulaC18H34NO+
Molecular Weight280.48 g/mol
Exact Mass280.26
IUPAC Name2-(1-adamantyloxy)ethyl-triethylazanium
SMILESCC[N+](CC)(CC)CCOC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H34NO/c1-4-19(5-2,6-3)7-8-20-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17H,4-14H2,1-3H3/q+1
InChIKeyWYVPPTYATHNJGR-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyloxy)ethyl-triethylazanium?
The IUPAC name of 2-(1-adamantyloxy)ethyl-triethylazanium (CID 3041517) is 2-(1-adamantyloxy)ethyl-triethylazanium.
What is the SMILES notation for 2-(1-adamantyloxy)ethyl-triethylazanium?
The canonical SMILES for 2-(1-adamantyloxy)ethyl-triethylazanium is CC[N+](CC)(CC)CCOC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyloxy)ethyl-triethylazanium?
The InChIKey is WYVPPTYATHNJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34NO/c1-4-19(5-2,6-3)7-8-20-18-12-15-9-16(13-18)11-17(10-15)14-18/h15-17H,4-14H2,1-3H3/q+1.
What are the key properties of 2-(1-adamantyloxy)ethyl-triethylazanium?
2-(1-adamantyloxy)ethyl-triethylazanium has a molecular weight of 280.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyloxy)ethyl-triethylazanium is sourced from PubChem (CID 3041517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).