14-(trimethylazaniumyl)tetradecanoate

C17H35NO2 — CID 172851889

IUPAC14-(trimethylazaniumyl)tetradecanoate
SMILESC[N+](C)(C)CCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C17H35NO2/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17(19)20/h4-16H2,1-3H3
InChIKeyYEHIHRUUNALFSN-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.12
Rot. Bonds14

About 14-(trimethylazaniumyl)tetradecanoate

14-(trimethylazaniumyl)tetradecanoate (PubChem CID 172851889) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 14-(trimethylazaniumyl)tetradecanoate.

Molecular Properties

Compound Name14-(trimethylazaniumyl)tetradecanoate
PubChem CID172851889
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name14-(trimethylazaniumyl)tetradecanoate
SMILESC[N+](C)(C)CCCCCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C17H35NO2/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17(19)20/h4-16H2,1-3H3
InChIKeyYEHIHRUUNALFSN-UHFFFAOYSA-N
XLogP3.12
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

16-(trimethylazaniumyl)hexadecanoate
CID 172771890
hexanoate;trimethyl(nonyl)azanium
CID 139992279
2-hydroxyethyl(trimethyl)azanium;12-hydroxy-12-oxododecanoate
CID 159467086
11-oxo-11-[2-(trimethylazaniumyl)ethoxy]undecanoate
CID 154704683
trimethyl(undecyl)azanium acetate
CID 174998472
tridecanedioate
CID 6994474
dimethyl(dioctadecyl)azanium;dodecanoate
CID 20560140
8-[decyl(dimethyl)azaniumyl]octanoate
CID 175686111
dihexadecyl(dimethyl)azanium;dodecanoate
CID 18702866
6-carboxyhexyl(trimethyl)azanium
CID 70691026
bis(hexadecyl(trimethyl)azanium);carbonate
CID 15617077
(14-chloro-14-oxotetradecyl)-trimethylazanium
CID 177226605

Frequently Asked Questions

What is the IUPAC name of 14-(trimethylazaniumyl)tetradecanoate?
The IUPAC name of 14-(trimethylazaniumyl)tetradecanoate (CID 172851889) is 14-(trimethylazaniumyl)tetradecanoate.
What is the SMILES notation for 14-(trimethylazaniumyl)tetradecanoate?
The canonical SMILES for 14-(trimethylazaniumyl)tetradecanoate is C[N+](C)(C)CCCCCCCCCCCCCC(=O)[O-].
What is the InChIKey of 14-(trimethylazaniumyl)tetradecanoate?
The InChIKey is YEHIHRUUNALFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-18(2,3)16-14-12-10-8-6-4-5-7-9-11-13-15-17(19)20/h4-16H2,1-3H3.
What are the key properties of 14-(trimethylazaniumyl)tetradecanoate?
14-(trimethylazaniumyl)tetradecanoate has a molecular weight of 285.47 g/mol, XLogP of 3.12, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(trimethylazaniumyl)tetradecanoate is sourced from PubChem (CID 172851889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).