dibutyl(3-hydroxypropyl)azanium

C11H26NO+ — CID 36690466

IUPACdibutyl(3-hydroxypropyl)azanium
SMILESCCCC[NH+](CCCC)CCCO
InChIInChI=1S/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3/p+1
InChIKeyDMPODMBXLRMZSP-UHFFFAOYSA-O
MW188.33 g/mol
LogP0.85
Rot. Bonds9

About dibutyl(3-hydroxypropyl)azanium

dibutyl(3-hydroxypropyl)azanium (PubChem CID 36690466) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is dibutyl(3-hydroxypropyl)azanium.

Molecular Properties

Compound Namedibutyl(3-hydroxypropyl)azanium
PubChem CID36690466
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Namedibutyl(3-hydroxypropyl)azanium
SMILESCCCC[NH+](CCCC)CCCO
InChIInChI=1S/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3/p+1
InChIKeyDMPODMBXLRMZSP-UHFFFAOYSA-O
XLogP0.85
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

dibutyl(2-hydroxyethyl)azanium
CID 18920823
dibutyl(propyl)azanium;propane
CID 176561403
dibutyl(octadecyl)azanium
CID 18405855
tripentylazanium
CID 6993016
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butyl-hexyl-pentylazanium chloride
CID 139955344
sodium butan-1-ol
CID 19366054
butan-1-ol;nickel
CID 22477011
butan-1-ol;methanol
CID 23065762
tris(butan-1-ol);zirconium
CID 25200102
butane;butan-1-ol
CID 19774960

Frequently Asked Questions

What is the IUPAC name of dibutyl(3-hydroxypropyl)azanium?
The IUPAC name of dibutyl(3-hydroxypropyl)azanium (CID 36690466) is dibutyl(3-hydroxypropyl)azanium.
What is the SMILES notation for dibutyl(3-hydroxypropyl)azanium?
The canonical SMILES for dibutyl(3-hydroxypropyl)azanium is CCCC[NH+](CCCC)CCCO.
What is the InChIKey of dibutyl(3-hydroxypropyl)azanium?
The InChIKey is DMPODMBXLRMZSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H25NO/c1-3-5-8-12(9-6-4-2)10-7-11-13/h13H,3-11H2,1-2H3/p+1.
What are the key properties of dibutyl(3-hydroxypropyl)azanium?
dibutyl(3-hydroxypropyl)azanium has a molecular weight of 188.33 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(3-hydroxypropyl)azanium is sourced from PubChem (CID 36690466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).