tris(2-hydroxyethoxy)-propylazanium

C9H22NO6+ — CID 88748271

IUPACtris(2-hydroxyethoxy)-propylazanium
SMILESCCC[N+](OCCO)(OCCO)OCCO
InChIInChI=1S/C9H22NO6/c1-2-3-10(14-7-4-11,15-8-5-12)16-9-6-13/h11-13H,2-9H2,1H3/q+1
InChIKeyNNPNVJRIWSXFEM-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.02
Rot. Bonds11

About tris(2-hydroxyethoxy)-propylazanium

tris(2-hydroxyethoxy)-propylazanium (PubChem CID 88748271) has the molecular formula C9H22NO6+ and a molecular weight of 240.28 g/mol. Its IUPAC name is tris(2-hydroxyethoxy)-propylazanium.

Molecular Properties

Compound Nametris(2-hydroxyethoxy)-propylazanium
PubChem CID88748271
Molecular FormulaC9H22NO6+
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Nametris(2-hydroxyethoxy)-propylazanium
SMILESCCC[N+](OCCO)(OCCO)OCCO
InChIInChI=1S/C9H22NO6/c1-2-3-10(14-7-4-11,15-8-5-12)16-9-6-13/h11-13H,2-9H2,1H3/q+1
InChIKeyNNPNVJRIWSXFEM-UHFFFAOYSA-N
XLogP-1.02
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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
2-hydroxyethoxy(trimethyl)azanium bromide
CID 174869797
bis(hydroxymethoxy)-dipropylazanium hydroxide
CID 88798268
2-ethoxyethanol;neodymium
CID 174490221
difluoro-bis(2-hydroxyethoxy)azanium
CID 87095875
2-ethoxyethanol;silane
CID 173283937
tris(2-hydroxyethoxy)-methylazanium hexafluorophosphate
CID 174506385
2-(2-hydroxyethoxy)ethanol;pentane
CID 157305945
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 20613004
bis(propan-1-ol);bis(2-propoxyethanol)
CID 157411921
2-hydroxyethyl(tripropyl)azanium bromide
CID 129218113
2-methoxyethanol;sulfane
CID 174965249

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethoxy)-propylazanium?
The IUPAC name of tris(2-hydroxyethoxy)-propylazanium (CID 88748271) is tris(2-hydroxyethoxy)-propylazanium.
What is the SMILES notation for tris(2-hydroxyethoxy)-propylazanium?
The canonical SMILES for tris(2-hydroxyethoxy)-propylazanium is CCC[N+](OCCO)(OCCO)OCCO.
What is the InChIKey of tris(2-hydroxyethoxy)-propylazanium?
The InChIKey is NNPNVJRIWSXFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO6/c1-2-3-10(14-7-4-11,15-8-5-12)16-9-6-13/h11-13H,2-9H2,1H3/q+1.
What are the key properties of tris(2-hydroxyethoxy)-propylazanium?
tris(2-hydroxyethoxy)-propylazanium has a molecular weight of 240.28 g/mol, XLogP of -1.02, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethoxy)-propylazanium is sourced from PubChem (CID 88748271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).