1-hydroxyethyl(tripropyl)azanium hydroxide

C11H27NO2 — CID 88798296

IUPAC1-hydroxyethyl(tripropyl)azanium hydroxide
SMILESCCC[N+](CCC)(CCC)C(C)O.[OH-]
InChIInChI=1S/C11H26NO.H2O/c1-5-8-12(9-6-2,10-7-3)11(4)13;/h11,13H,5-10H2,1-4H3;1H2/q+1;/p-1
InChIKeyPKKOHHSZSAQSPU-UHFFFAOYSA-M
MW205.34 g/mol
LogP2.19
Rot. Bonds7

About 1-hydroxyethyl(tripropyl)azanium hydroxide

1-hydroxyethyl(tripropyl)azanium hydroxide (PubChem CID 88798296) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-hydroxyethyl(tripropyl)azanium hydroxide.

Molecular Properties

Compound Name1-hydroxyethyl(tripropyl)azanium hydroxide
PubChem CID88798296
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Name1-hydroxyethyl(tripropyl)azanium hydroxide
SMILESCCC[N+](CCC)(CCC)C(C)O.[OH-]
InChIInChI=1S/C11H26NO.H2O/c1-5-8-12(9-6-2,10-7-3)11(4)13;/h11,13H,5-10H2,1-4H3;1H2/q+1;/p-1
InChIKeyPKKOHHSZSAQSPU-UHFFFAOYSA-M
XLogP2.19
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-chloro-2-hydroxypropyl)-tripropylazanium chloride
CID 174656021
diethyl-propan-2-yl-propylazanium
CID 22044352
diethyl-hexyl-(1-hydroxyethyl)azanium chloride
CID 174515808
ethyl-tris(1-hydroxyethyl)azanium hydroxide
CID 88688051
dibutyl-bis(1-hydroxyethyl)azanium bromide
CID 87468269
butyl-bis(1-hydroxyethyl)-methylazanium
CID 57026035
(2R)-pentan-2-ol
CID 7014876
tris(1-hydroxyethyl)-octadecylazanium bromide
CID 18003854
di(docosyl)-bis(1-hydroxyethyl)azanium
CID 87433425
dihexadecyl-bis(1-hydroxyethyl)azanium
CID 87125625
dodecyl-bis(1-hydroxyethyl)-octylazanium
CID 88660791
propane-1,2-diol;tetraethylazanium;hydroxide
CID 175392137

Frequently Asked Questions

What is the IUPAC name of 1-hydroxyethyl(tripropyl)azanium hydroxide?
The IUPAC name of 1-hydroxyethyl(tripropyl)azanium hydroxide (CID 88798296) is 1-hydroxyethyl(tripropyl)azanium hydroxide.
What is the SMILES notation for 1-hydroxyethyl(tripropyl)azanium hydroxide?
The canonical SMILES for 1-hydroxyethyl(tripropyl)azanium hydroxide is CCC[N+](CCC)(CCC)C(C)O.[OH-].
What is the InChIKey of 1-hydroxyethyl(tripropyl)azanium hydroxide?
The InChIKey is PKKOHHSZSAQSPU-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26NO.H2O/c1-5-8-12(9-6-2,10-7-3)11(4)13;/h11,13H,5-10H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of 1-hydroxyethyl(tripropyl)azanium hydroxide?
1-hydroxyethyl(tripropyl)azanium hydroxide has a molecular weight of 205.34 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyethyl(tripropyl)azanium hydroxide is sourced from PubChem (CID 88798296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).