hexyl-bis[2-(methoxymethoxy)ethyl]azanium

C14H32NO4+ — CID 168743901

IUPAChexyl-bis[2-(methoxymethoxy)ethyl]azanium
SMILESCCCCCC[NH+](CCOCOC)CCOCOC
InChIInChI=1S/C14H31NO4/c1-4-5-6-7-8-15(9-11-18-13-16-2)10-12-19-14-17-3/h4-14H2,1-3H3/p+1
InChIKeyNTZRIGLAZCQOLD-UHFFFAOYSA-O
MW278.41 g/mol
LogP0.69
Rot. Bonds15

About hexyl-bis[2-(methoxymethoxy)ethyl]azanium

hexyl-bis[2-(methoxymethoxy)ethyl]azanium (PubChem CID 168743901) has the molecular formula C14H32NO4+ and a molecular weight of 278.41 g/mol. Its IUPAC name is hexyl-bis[2-(methoxymethoxy)ethyl]azanium.

Molecular Properties

Compound Namehexyl-bis[2-(methoxymethoxy)ethyl]azanium
PubChem CID168743901
Molecular FormulaC14H32NO4+
Molecular Weight278.41 g/mol
Exact Mass278.23
IUPAC Namehexyl-bis[2-(methoxymethoxy)ethyl]azanium
SMILESCCCCCC[NH+](CCOCOC)CCOCOC
InChIInChI=1S/C14H31NO4/c1-4-5-6-7-8-15(9-11-18-13-16-2)10-12-19-14-17-3/h4-14H2,1-3H3/p+1
InChIKeyNTZRIGLAZCQOLD-UHFFFAOYSA-O
XLogP0.69
TPSA41.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dibutyl(2-hexoxyethyl)azanium chloride
CID 18529341
tridodecylazanium iodide
CID 23216258
trihexylazanium bromide
CID 54105866
trioctylazanium hydroxide
CID 22253318
dibutyl(octadecyl)azanium
CID 18405855
tripentylazanium
CID 6993016
butyl-hexyl-pentylazanium chloride
CID 139955344
1-(methoxymethoxy)dodeca-3,5-diene
CID 76697510
(10R)-10-deuterio-1-(methoxymethoxy)tridecane
CID 10562335
didecyl-[2-(2-prop-2-enoyloxyethoxy)ethyl]azanium chloride
CID 164853913
(3Z,13E)-1-(methoxymethoxy)octadeca-3,13-diene
CID 164728509
diethyl(tricosyl)azanium chloride
CID 141276977

Frequently Asked Questions

What is the IUPAC name of hexyl-bis[2-(methoxymethoxy)ethyl]azanium?
The IUPAC name of hexyl-bis[2-(methoxymethoxy)ethyl]azanium (CID 168743901) is hexyl-bis[2-(methoxymethoxy)ethyl]azanium.
What is the SMILES notation for hexyl-bis[2-(methoxymethoxy)ethyl]azanium?
The canonical SMILES for hexyl-bis[2-(methoxymethoxy)ethyl]azanium is CCCCCC[NH+](CCOCOC)CCOCOC.
What is the InChIKey of hexyl-bis[2-(methoxymethoxy)ethyl]azanium?
The InChIKey is NTZRIGLAZCQOLD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H31NO4/c1-4-5-6-7-8-15(9-11-18-13-16-2)10-12-19-14-17-3/h4-14H2,1-3H3/p+1.
What are the key properties of hexyl-bis[2-(methoxymethoxy)ethyl]azanium?
hexyl-bis[2-(methoxymethoxy)ethyl]azanium has a molecular weight of 278.41 g/mol, XLogP of 0.69, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-bis[2-(methoxymethoxy)ethyl]azanium is sourced from PubChem (CID 168743901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).