diethyl(2-hydroxypropyl)azanium

C7H18NO+ — CID 23278727

IUPACdiethyl(2-hydroxypropyl)azanium
SMILESCC[NH+](CC)CC(C)O
InChIInChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/p+1
InChIKeyBHUXAQIVYLDUQV-UHFFFAOYSA-O
MW132.23 g/mol
LogP-0.71
Rot. Bonds4

About diethyl(2-hydroxypropyl)azanium

diethyl(2-hydroxypropyl)azanium (PubChem CID 23278727) has the molecular formula C7H18NO+ and a molecular weight of 132.23 g/mol. Its IUPAC name is diethyl(2-hydroxypropyl)azanium.

Molecular Properties

Compound Namediethyl(2-hydroxypropyl)azanium
PubChem CID23278727
Molecular FormulaC7H18NO+
Molecular Weight132.23 g/mol
Exact Mass132.14
IUPAC Namediethyl(2-hydroxypropyl)azanium
SMILESCC[NH+](CC)CC(C)O
InChIInChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/p+1
InChIKeyBHUXAQIVYLDUQV-UHFFFAOYSA-O
XLogP-0.71
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze diethyl(2-hydroxypropyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl-[(2R)-2-hydroxypropyl]azanium
CID 6951308
[(2R)-3-chloro-2-hydroxypropyl]-diethylazanium
CID 7335612
bis(3-amino-3-oxopropyl)-[(2S)-2-hydroxypropyl]azanium
CID 2119979
2-hydroxy-N-methylpropan-1-amine oxide
CID 163564233
pentakis(butan-2-ol);molybdenum
CID 152613437
aluminum butan-2-ol
CID 23623700
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
lithium triethylazanium
CID 58758998
Triethylammonium borohydride
CID 6365648
butan-2-ol;ethanol
CID 174347632
(2S,3R)-3-deuteriobutan-2-ol
CID 25240108

Frequently Asked Questions

What is the IUPAC name of diethyl(2-hydroxypropyl)azanium?
The IUPAC name of diethyl(2-hydroxypropyl)azanium (CID 23278727) is diethyl(2-hydroxypropyl)azanium.
What is the SMILES notation for diethyl(2-hydroxypropyl)azanium?
The canonical SMILES for diethyl(2-hydroxypropyl)azanium is CC[NH+](CC)CC(C)O.
What is the InChIKey of diethyl(2-hydroxypropyl)azanium?
The InChIKey is BHUXAQIVYLDUQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17NO/c1-4-8(5-2)6-7(3)9/h7,9H,4-6H2,1-3H3/p+1.
What are the key properties of diethyl(2-hydroxypropyl)azanium?
diethyl(2-hydroxypropyl)azanium has a molecular weight of 132.23 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(2-hydroxypropyl)azanium is sourced from PubChem (CID 23278727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).