bis(hydroxymethoxy)-dipropylazanium hydroxide

C8H21NO5 — CID 88798268

IUPACbis(hydroxymethoxy)-dipropylazanium hydroxide
SMILESCCC[N+](CCC)(OCO)OCO.[OH-]
InChIInChI=1S/C8H20NO4.H2O/c1-3-5-9(6-4-2,12-7-10)13-8-11;/h10-11H,3-8H2,1-2H3;1H2/q+1;/p-1
InChIKeyOJZDEMQPVUHJKD-UHFFFAOYSA-M
MW211.26 g/mol
LogP0.21
Rot. Bonds8

About bis(hydroxymethoxy)-dipropylazanium hydroxide

bis(hydroxymethoxy)-dipropylazanium hydroxide (PubChem CID 88798268) has the molecular formula C8H21NO5 and a molecular weight of 211.26 g/mol. Its IUPAC name is bis(hydroxymethoxy)-dipropylazanium hydroxide.

Molecular Properties

Compound Namebis(hydroxymethoxy)-dipropylazanium hydroxide
PubChem CID88798268
Molecular FormulaC8H21NO5
Molecular Weight211.26 g/mol
Exact Mass211.14
IUPAC Namebis(hydroxymethoxy)-dipropylazanium hydroxide
SMILESCCC[N+](CCC)(OCO)OCO.[OH-]
InChIInChI=1S/C8H20NO4.H2O/c1-3-5-9(6-4-2,12-7-10)13-8-11;/h10-11H,3-8H2,1-2H3;1H2/q+1;/p-1
InChIKeyOJZDEMQPVUHJKD-UHFFFAOYSA-M
XLogP0.21
TPSA88.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

bis(2-hydroxyethoxy)-dipropylazanium
CID 88798056
tris(2-hydroxyethoxy)-propylazanium
CID 88748271
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
hydroxymethyl(tripropyl)azanium
CID 54406855
diethyl-hydroxy-propylazanium hydroxide
CID 87829257
ethanol iodide
CID 22987629
ethanol;ruthenium
CID 150841781
ethanol;ruthenium
CID 157358792
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
sodium;propan-1-ol;iodide
CID 174317067
bis(2-hydroxyethyl)-dipropoxyazanium;dihydroxy(oxo)titanium;2-(2-hydroxyethylamino)ethanol
CID 88731920
bis(2-hydroxyethyl)-[2-(2-hydroxyethyl-methyl-propylazaniumyl)ethyl]-methylazanium
CID 159063844

Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethoxy)-dipropylazanium hydroxide?
The IUPAC name of bis(hydroxymethoxy)-dipropylazanium hydroxide (CID 88798268) is bis(hydroxymethoxy)-dipropylazanium hydroxide.
What is the SMILES notation for bis(hydroxymethoxy)-dipropylazanium hydroxide?
The canonical SMILES for bis(hydroxymethoxy)-dipropylazanium hydroxide is CCC[N+](CCC)(OCO)OCO.[OH-].
What is the InChIKey of bis(hydroxymethoxy)-dipropylazanium hydroxide?
The InChIKey is OJZDEMQPVUHJKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20NO4.H2O/c1-3-5-9(6-4-2,12-7-10)13-8-11;/h10-11H,3-8H2,1-2H3;1H2/q+1;/p-1.
What are the key properties of bis(hydroxymethoxy)-dipropylazanium hydroxide?
bis(hydroxymethoxy)-dipropylazanium hydroxide has a molecular weight of 211.26 g/mol, XLogP of 0.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethoxy)-dipropylazanium hydroxide is sourced from PubChem (CID 88798268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).