2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium

C15H34NO5+ — CID 142623254

IUPAC2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
SMILESCC(C)CCOCCOCCOCCOCCOCC[NH3+]
InChIInChI=1S/C15H33NO5/c1-15(2)3-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-4-16/h15H,3-14,16H2,1-2H3/p+1
InChIKeyMITGEEKNFOXXBX-UHFFFAOYSA-O
MW308.44 g/mol
LogP0.36
Rot. Bonds17

About 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium

2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium (PubChem CID 142623254) has the molecular formula C15H34NO5+ and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
PubChem CID142623254
Molecular FormulaC15H34NO5+
Molecular Weight308.44 g/mol
Exact Mass308.24
IUPAC Name2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium
SMILESCC(C)CCOCCOCCOCCOCCOCC[NH3+]
InChIInChI=1S/C15H33NO5/c1-15(2)3-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-4-16/h15H,3-14,16H2,1-2H3/p+1
InChIKeyMITGEEKNFOXXBX-UHFFFAOYSA-O
XLogP0.36
TPSA73.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
gallane;3-methyl-1-(3-methylbutoxy)butane
CID 174967258
3-methyl-1-(3-methylbutoxy)butane;molecular iodine
CID 131712143
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428229
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethoxy]butane
CID 171600515
1-(2-ethoxyethoxy)-3-methylbutane;1-(3-ethoxypropoxy)-3-methylbutane
CID 161271742
1-(2-butan-2-yloxyethoxy)-3-methylbutane
CID 165127882
trimethyl-[2-(3-methylbutoxy)ethoxy]silane
CID 526910
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
1-[2-(3-methylbutoxy)ethoxy]tetradecane
CID 59344673

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?
The IUPAC name of 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium (CID 142623254) is 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium.
What is the SMILES notation for 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?
The canonical SMILES for 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium is CC(C)CCOCCOCCOCCOCCOCC[NH3+].
What is the InChIKey of 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?
The InChIKey is MITGEEKNFOXXBX-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H33NO5/c1-15(2)3-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-4-16/h15H,3-14,16H2,1-2H3/p+1.
What are the key properties of 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium?
2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium has a molecular weight of 308.44 g/mol, XLogP of 0.36, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium is sourced from PubChem (CID 142623254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).