dodecyl(tripropyl)azanium hydroxide

C21H47NO — CID 19814016

IUPACdodecyl(tripropyl)azanium hydroxide
SMILESCCCCCCCCCCCC[N+](CCC)(CCC)CCC.[OH-]
InChIInChI=1S/C21H46N.H2O/c1-5-9-10-11-12-13-14-15-16-17-21-22(18-6-2,19-7-3)20-8-4;/h5-21H2,1-4H3;1H2/q+1;/p-1
InChIKeyGGKXMVFBXVKSQJ-UHFFFAOYSA-M
MW329.61 g/mol
LogP6.78
Rot. Bonds17

About dodecyl(tripropyl)azanium hydroxide

dodecyl(tripropyl)azanium hydroxide (PubChem CID 19814016) has the molecular formula C21H47NO and a molecular weight of 329.61 g/mol. Its IUPAC name is dodecyl(tripropyl)azanium hydroxide.

Molecular Properties

Compound Namedodecyl(tripropyl)azanium hydroxide
PubChem CID19814016
Molecular FormulaC21H47NO
Molecular Weight329.61 g/mol
Exact Mass329.37
IUPAC Namedodecyl(tripropyl)azanium hydroxide
SMILESCCCCCCCCCCCC[N+](CCC)(CCC)CCC.[OH-]
InChIInChI=1S/C21H46N.H2O/c1-5-9-10-11-12-13-14-15-16-17-21-22(18-6-2,19-7-3)20-8-4;/h5-21H2,1-4H3;1H2/q+1;/p-1
InChIKeyGGKXMVFBXVKSQJ-UHFFFAOYSA-M
XLogP6.78
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.61
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

propyl-tri(tetradecyl)azanium
CID 22408967
dihexyl(dipropyl)azanium
CID 23088856
hexadecyl-[4-[hexadecyl(dipropyl)azaniumyl]butyl]-dipropylazanium
CID 122218461
propyl-tri(undecyl)azanium
CID 54352857
didecyl(dipropyl)azanium chloride
CID 16747386
tripropyl(tetracosyl)azanium bromide
CID 153322910
dibutyl-hexadecyl-propylazanium
CID 87194483
tetraoctylazanium hydroxide
CID 10994503
bis(tetrahexylazanium);chloride;hydroxide
CID 177250603
tributyl-[6-(tributylazaniumyl)hexyl]azanium dihydroxide
CID 15376281
hexadecyl(trihexyl)azanium
CID 19021069
octyl-tri(pentadecyl)azanium
CID 87809127

Frequently Asked Questions

What is the IUPAC name of dodecyl(tripropyl)azanium hydroxide?
The IUPAC name of dodecyl(tripropyl)azanium hydroxide (CID 19814016) is dodecyl(tripropyl)azanium hydroxide.
What is the SMILES notation for dodecyl(tripropyl)azanium hydroxide?
The canonical SMILES for dodecyl(tripropyl)azanium hydroxide is CCCCCCCCCCCC[N+](CCC)(CCC)CCC.[OH-].
What is the InChIKey of dodecyl(tripropyl)azanium hydroxide?
The InChIKey is GGKXMVFBXVKSQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H46N.H2O/c1-5-9-10-11-12-13-14-15-16-17-21-22(18-6-2,19-7-3)20-8-4;/h5-21H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of dodecyl(tripropyl)azanium hydroxide?
dodecyl(tripropyl)azanium hydroxide has a molecular weight of 329.61 g/mol, XLogP of 6.78, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(tripropyl)azanium hydroxide is sourced from PubChem (CID 19814016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).