diethyl-hydroxy-propylazanium hydroxide

C7H19NO2 — CID 87829257

IUPACdiethyl-hydroxy-propylazanium hydroxide
SMILESCCC[N+](O)(CC)CC.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-4-7-8(9,5-2)6-3;/h9H,4-7H2,1-3H3;1H2/q+1;/p-1
InChIKeyDEPUARHOZOHNQQ-UHFFFAOYSA-M
MW149.23 g/mol
LogP1.47
Rot. Bonds4

About diethyl-hydroxy-propylazanium hydroxide

diethyl-hydroxy-propylazanium hydroxide (PubChem CID 87829257) has the molecular formula C7H19NO2 and a molecular weight of 149.23 g/mol. Its IUPAC name is diethyl-hydroxy-propylazanium hydroxide.

Molecular Properties

Compound Namediethyl-hydroxy-propylazanium hydroxide
PubChem CID87829257
Molecular FormulaC7H19NO2
Molecular Weight149.23 g/mol
Exact Mass149.14
IUPAC Namediethyl-hydroxy-propylazanium hydroxide
SMILESCCC[N+](O)(CC)CC.[OH-]
InChIInChI=1S/C7H18NO.H2O/c1-4-7-8(9,5-2)6-3;/h9H,4-7H2,1-3H3;1H2/q+1;/p-1
InChIKeyDEPUARHOZOHNQQ-UHFFFAOYSA-M
XLogP1.47
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

diethyl-heptadecyl-hydroxyazanium
CID 158229667
dihexadecyl-hydroxy-propylazanium
CID 87484361
antimony(3+);tetrapropylazanium
CID 18954503
diethyl-hexadecyl-hydroxyazanium;methyl hydrogen sulfate
CID 174876687
hexadecyl-hydroxy-dioctadecylazanium
CID 19073496
diethyl(dihydroxy)azanium
CID 22153363
1-hydroxyethyl(tripropyl)azanium hydroxide
CID 88798296
dibutyl-ethyl-propylazanium hydroxide
CID 126618313
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
hydroxymethyl(tripropyl)azanium
CID 54406855
hydroxy-dimethyl-octadecylazanium hydroxide
CID 139772700
bis(hydroxymethoxy)-dipropylazanium hydroxide
CID 88798268

Frequently Asked Questions

What is the IUPAC name of diethyl-hydroxy-propylazanium hydroxide?
The IUPAC name of diethyl-hydroxy-propylazanium hydroxide (CID 87829257) is diethyl-hydroxy-propylazanium hydroxide.
What is the SMILES notation for diethyl-hydroxy-propylazanium hydroxide?
The canonical SMILES for diethyl-hydroxy-propylazanium hydroxide is CCC[N+](O)(CC)CC.[OH-].
What is the InChIKey of diethyl-hydroxy-propylazanium hydroxide?
The InChIKey is DEPUARHOZOHNQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H18NO.H2O/c1-4-7-8(9,5-2)6-3;/h9H,4-7H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of diethyl-hydroxy-propylazanium hydroxide?
diethyl-hydroxy-propylazanium hydroxide has a molecular weight of 149.23 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-hydroxy-propylazanium hydroxide is sourced from PubChem (CID 87829257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).