dibutyl-ethyl-propylazanium hydroxide

C13H31NO — CID 126618313

IUPACdibutyl-ethyl-propylazanium hydroxide
SMILESCCCC[N+](CC)(CCC)CCCC.[OH-]
InChIInChI=1S/C13H30N.H2O/c1-5-9-12-14(8-4,11-7-3)13-10-6-2;/h5-13H2,1-4H3;1H2/q+1;/p-1
InChIKeyKQTCSBXDZPSRJX-UHFFFAOYSA-M
MW217.40 g/mol
LogP3.66
Rot. Bonds9

About dibutyl-ethyl-propylazanium hydroxide

dibutyl-ethyl-propylazanium hydroxide (PubChem CID 126618313) has the molecular formula C13H31NO and a molecular weight of 217.40 g/mol. Its IUPAC name is dibutyl-ethyl-propylazanium hydroxide.

Molecular Properties

Compound Namedibutyl-ethyl-propylazanium hydroxide
PubChem CID126618313
Molecular FormulaC13H31NO
Molecular Weight217.40 g/mol
Exact Mass217.24
IUPAC Namedibutyl-ethyl-propylazanium hydroxide
SMILESCCCC[N+](CC)(CCC)CCCC.[OH-]
InChIInChI=1S/C13H30N.H2O/c1-5-9-12-14(8-4,11-7-3)13-10-6-2;/h5-13H2,1-4H3;1H2/q+1;/p-1
InChIKeyKQTCSBXDZPSRJX-UHFFFAOYSA-M
XLogP3.66
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dibutyl(diethyl)azanium;titanium
CID 175271824
tetrabutylazanium hydroxide
CID 2723671
dodecyl(tripropyl)azanium hydroxide
CID 19814016
butyl-dipentyl-propylazanium chloride
CID 88839521
dibutyl-hexadecyl-propylazanium
CID 87194483
didecyl-ethyl-octylazanium
CID 172694602
didodecyl(diethyl)azanium hydroxide
CID 87834319
triethyl(octyl)azanium hydroxide
CID 23496315
ethyl(trihexadecyl)azanium chloride
CID 19896250
propyl-tri(undecyl)azanium
CID 54352857
tris(oxygen(2-));ruthenium(6+);tetrabutylazanium;hydroxide
CID 21458250
azane;phosphane;tetrabutylazanium;hydroxide
CID 174846228

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethyl-propylazanium hydroxide?
The IUPAC name of dibutyl-ethyl-propylazanium hydroxide (CID 126618313) is dibutyl-ethyl-propylazanium hydroxide.
What is the SMILES notation for dibutyl-ethyl-propylazanium hydroxide?
The canonical SMILES for dibutyl-ethyl-propylazanium hydroxide is CCCC[N+](CC)(CCC)CCCC.[OH-].
What is the InChIKey of dibutyl-ethyl-propylazanium hydroxide?
The InChIKey is KQTCSBXDZPSRJX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H30N.H2O/c1-5-9-12-14(8-4,11-7-3)13-10-6-2;/h5-13H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of dibutyl-ethyl-propylazanium hydroxide?
dibutyl-ethyl-propylazanium hydroxide has a molecular weight of 217.40 g/mol, XLogP of 3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethyl-propylazanium hydroxide is sourced from PubChem (CID 126618313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).