tributyl(heptan-3-yl)azanium hydroxide

C19H43NO — CID 87346381

IUPACtributyl(heptan-3-yl)azanium hydroxide
SMILESCCCCC(CC)[N+](CCCC)(CCCC)CCCC.[OH-]
InChIInChI=1S/C19H42N.H2O/c1-6-11-15-19(10-5)20(16-12-7-2,17-13-8-3)18-14-9-4;/h19H,6-18H2,1-5H3;1H2/q+1;/p-1
InChIKeySGJKNRKXQZNSLF-UHFFFAOYSA-M
MW301.56 g/mol
LogP6.00
Rot. Bonds14

About tributyl(heptan-3-yl)azanium hydroxide

tributyl(heptan-3-yl)azanium hydroxide (PubChem CID 87346381) has the molecular formula C19H43NO and a molecular weight of 301.56 g/mol. Its IUPAC name is tributyl(heptan-3-yl)azanium hydroxide.

Molecular Properties

Compound Nametributyl(heptan-3-yl)azanium hydroxide
PubChem CID87346381
Molecular FormulaC19H43NO
Molecular Weight301.56 g/mol
Exact Mass301.33
IUPAC Nametributyl(heptan-3-yl)azanium hydroxide
SMILESCCCCC(CC)[N+](CCCC)(CCCC)CCCC.[OH-]
InChIInChI=1S/C19H42N.H2O/c1-6-11-15-19(10-5)20(16-12-7-2,17-13-8-3)18-14-9-4;/h19H,6-18H2,1-5H3;1H2/q+1;/p-1
InChIKeySGJKNRKXQZNSLF-UHFFFAOYSA-M
XLogP6.00
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.56
LogP ≤ 56.00
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

tris-decyl(dodecan-3-yl)azanium
CID 157450387
dibutyl-octadecyl-tetradecan-5-ylazanium
CID 87948519
tridodecyl-[1-(tridodecylazaniumyl)octan-4-yl]azanium diiodide
CID 22461608
tetra(octan-4-yl)azanium fluoride
CID 87832016
dibutyl-ethyl-hexan-2-ylazanium
CID 175384713
trimethyl(nonan-5-yl)azanium
CID 14113823
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
dimethyl-di(octan-3-yl)azanium
CID 155126039
dibutyl-dodecyl-pentadec-1-en-4-ylazanium bromide
CID 174457034
tributyl(pentan-2-yl)azanium chloride
CID 87105344
tributyl-[1,16-dichloro-16-(tributylazaniumyl)hexadecyl]azanium
CID 87746086
docosan-3-yl(trimethyl)azanium chloride
CID 87279743

Frequently Asked Questions

What is the IUPAC name of tributyl(heptan-3-yl)azanium hydroxide?
The IUPAC name of tributyl(heptan-3-yl)azanium hydroxide (CID 87346381) is tributyl(heptan-3-yl)azanium hydroxide.
What is the SMILES notation for tributyl(heptan-3-yl)azanium hydroxide?
The canonical SMILES for tributyl(heptan-3-yl)azanium hydroxide is CCCCC(CC)[N+](CCCC)(CCCC)CCCC.[OH-].
What is the InChIKey of tributyl(heptan-3-yl)azanium hydroxide?
The InChIKey is SGJKNRKXQZNSLF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42N.H2O/c1-6-11-15-19(10-5)20(16-12-7-2,17-13-8-3)18-14-9-4;/h19H,6-18H2,1-5H3;1H2/q+1;/p-1.
What are the key properties of tributyl(heptan-3-yl)azanium hydroxide?
tributyl(heptan-3-yl)azanium hydroxide has a molecular weight of 301.56 g/mol, XLogP of 6.00, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(heptan-3-yl)azanium hydroxide is sourced from PubChem (CID 87346381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).