tributyl(tetradecanoyl)azanium

C26H54NO+ — CID 14993044

IUPACtributyl(tetradecanoyl)azanium
SMILESCCCCCCCCCCCCCC(=O)[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C26H54NO/c1-5-9-13-14-15-16-17-18-19-20-21-22-26(28)27(23-10-6-2,24-11-7-3)25-12-8-4/h5-25H2,1-4H3/q+1
InChIKeyPYQLWIFIZXUTRM-UHFFFAOYSA-N
MW396.72 g/mol
LogP8.43
Rot. Bonds21

About tributyl(tetradecanoyl)azanium

tributyl(tetradecanoyl)azanium (PubChem CID 14993044) has the molecular formula C26H54NO+ and a molecular weight of 396.72 g/mol. Its IUPAC name is tributyl(tetradecanoyl)azanium.

Molecular Properties

Compound Nametributyl(tetradecanoyl)azanium
PubChem CID14993044
Molecular FormulaC26H54NO+
Molecular Weight396.72 g/mol
Exact Mass396.42
IUPAC Nametributyl(tetradecanoyl)azanium
SMILESCCCCCCCCCCCCCC(=O)[N+](CCCC)(CCCC)CCCC
InChIInChI=1S/C26H54NO/c1-5-9-13-14-15-16-17-18-19-20-21-22-26(28)27(23-10-6-2,24-11-7-3)25-12-8-4/h5-25H2,1-4H3/q+1
InChIKeyPYQLWIFIZXUTRM-UHFFFAOYSA-N
XLogP8.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.72
LogP ≤ 58.43
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

tributyl(icosanoyl)azanium bromide
CID 88521917
azane;hexadecanoyl(tripropyl)azanium;chloride;dihydrochloride
CID 175548166
di(dodecanoyl)-dimethylazanium
CID 46207720
ethyl-tri(octanoyl)azanium
CID 88828447
butyl-propan-2-yl-di(tetradecanoyl)azanium hydroxide
CID 88757270
2-hydroxyethyl-dimethyl-octadecanoylazanium
CID 21145645
dibutyl-di(octadec-9-enoyl)azanium bromide
CID 173436023
ethyl-dimethyl-tetradecanoylazanium chloride
CID 142704587
di(hexadecanoyl)-(2-hydroxyethyl)-tridecylazanium
CID 175475565
CID 87085873
CID 87085873
CID 131879408
CID 131879408
19-(tributylazaniumyl)nonadecanoate
CID 172767534

Frequently Asked Questions

What is the IUPAC name of tributyl(tetradecanoyl)azanium?
The IUPAC name of tributyl(tetradecanoyl)azanium (CID 14993044) is tributyl(tetradecanoyl)azanium.
What is the SMILES notation for tributyl(tetradecanoyl)azanium?
The canonical SMILES for tributyl(tetradecanoyl)azanium is CCCCCCCCCCCCCC(=O)[N+](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(tetradecanoyl)azanium?
The InChIKey is PYQLWIFIZXUTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54NO/c1-5-9-13-14-15-16-17-18-19-20-21-22-26(28)27(23-10-6-2,24-11-7-3)25-12-8-4/h5-25H2,1-4H3/q+1.
What are the key properties of tributyl(tetradecanoyl)azanium?
tributyl(tetradecanoyl)azanium has a molecular weight of 396.72 g/mol, XLogP of 8.43, 21 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tetradecanoyl)azanium is sourced from PubChem (CID 14993044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).