3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium

C16H38N2O4+2 — CID 132605784

IUPAC3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
SMILESC[N+](C)(CCCO)CCOCCOCC[N+](C)(C)CCCO
InChIInChI=1S/C16H38N2O4/c1-17(2,7-5-11-19)9-13-21-15-16-22-14-10-18(3,4)8-6-12-20/h19-20H,5-16H2,1-4H3/q+2
InChIKeyDZVYTMUEDOGOGJ-UHFFFAOYSA-N
MW322.49 g/mol
LogP-0.06
Rot. Bonds15

About 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium

3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium (PubChem CID 132605784) has the molecular formula C16H38N2O4+2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium.

Molecular Properties

Compound Name3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
PubChem CID132605784
Molecular FormulaC16H38N2O4+2
Molecular Weight322.49 g/mol
Exact Mass322.28
IUPAC Name3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
SMILESC[N+](C)(CCCO)CCOCCOCC[N+](C)(C)CCCO
InChIInChI=1S/C16H38N2O4/c1-17(2,7-5-11-19)9-13-21-15-16-22-14-10-18(3,4)8-6-12-20/h19-20H,5-16H2,1-4H3/q+2
InChIKeyDZVYTMUEDOGOGJ-UHFFFAOYSA-N
XLogP-0.06
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxybutyl-[2-[2-[2-[4-hydroxybutyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium
CID 153362918
2-(2-hydroxyethoxy)ethyl-dimethyl-octadecylazanium
CID 5193628
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl-bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]-methylazanium
CID 170672450
3-hydroxypropyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
CID 24833340
bis[2-(2-ethoxyethoxy)ethyl]-dimethylazanium
CID 87738148
dimethyl-[2-(2-propoxyethoxy)ethyl]-[3-(trimethylazaniumyl)propyl]azanium
CID 118952324
bis[2-(2-methoxyethoxy)ethyl]-dimethylazanium chloride
CID 129073269
6-hydroxyhexyl-[3-[6-hydroxyhexyl(dimethyl)azaniumyl]propyl]-dimethylazanium
CID 100915764
3-hydroxypropyl-dimethyl-octylazanium
CID 139953479
2-(2-methoxyethoxy)ethyl-(2-methoxyethyl)-dimethylazanium iodide
CID 167445578
N,N-dimethyloctan-1-amine;2-(2-hydroxyethoxy)ethyl-dimethyl-octylazanium;chloride
CID 87730340
2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium
CID 5176685

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium?
The IUPAC name of 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium (CID 132605784) is 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium.
What is the SMILES notation for 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium?
The canonical SMILES for 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium is C[N+](C)(CCCO)CCOCCOCC[N+](C)(C)CCCO.
What is the InChIKey of 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium?
The InChIKey is DZVYTMUEDOGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N2O4/c1-17(2,7-5-11-19)9-13-21-15-16-22-14-10-18(3,4)8-6-12-20/h19-20H,5-16H2,1-4H3/q+2.
What are the key properties of 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium?
3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium has a molecular weight of 322.49 g/mol, XLogP of -0.06, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl-[2-[2-[2-[3-hydroxypropyl(dimethyl)azaniumyl]ethoxy]ethoxy]ethyl]-dimethylazanium is sourced from PubChem (CID 132605784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).