15-carboxypentadecyl(triethyl)azanium

C22H46NO2+ — CID 87850575

IUPAC15-carboxypentadecyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H45NO2/c1-4-23(5-2,6-3)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(24)25/h4-21H2,1-3H3/p+1
InChIKeyPFFAZSDSFFLTPB-UHFFFAOYSA-O
MW356.62 g/mol
LogP6.41
Rot. Bonds19

About 15-carboxypentadecyl(triethyl)azanium

15-carboxypentadecyl(triethyl)azanium (PubChem CID 87850575) has the molecular formula C22H46NO2+ and a molecular weight of 356.62 g/mol. Its IUPAC name is 15-carboxypentadecyl(triethyl)azanium.

Molecular Properties

Compound Name15-carboxypentadecyl(triethyl)azanium
PubChem CID87850575
Molecular FormulaC22H46NO2+
Molecular Weight356.62 g/mol
Exact Mass356.35
IUPAC Name15-carboxypentadecyl(triethyl)azanium
SMILESCC[N+](CC)(CC)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H45NO2/c1-4-23(5-2,6-3)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(24)25/h4-21H2,1-3H3/p+1
InChIKeyPFFAZSDSFFLTPB-UHFFFAOYSA-O
XLogP6.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 56.41
H-Bond Donors ≤ 51
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

octanoic acid;tetraethylazanium;hydrobromide
CID 174863732
6-carboxyhexyl(trimethyl)azanium
CID 70691026
bis(11-carboxyundecyl)-dimethylazanium
CID 102174919
CID 87129001
CID 87129001
CID 87085873
CID 87085873
CID 131879408
CID 131879408
pentanedioic acid;tetrabutylazanium
CID 87067487
triethyl-[15-(triethylazaniumyl)pentadecyl]azanium diiodide
CID 24840909
methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 15-carboxypentadecyl(triethyl)azanium?
The IUPAC name of 15-carboxypentadecyl(triethyl)azanium (CID 87850575) is 15-carboxypentadecyl(triethyl)azanium.
What is the SMILES notation for 15-carboxypentadecyl(triethyl)azanium?
The canonical SMILES for 15-carboxypentadecyl(triethyl)azanium is CC[N+](CC)(CC)CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 15-carboxypentadecyl(triethyl)azanium?
The InChIKey is PFFAZSDSFFLTPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H45NO2/c1-4-23(5-2,6-3)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(24)25/h4-21H2,1-3H3/p+1.
What are the key properties of 15-carboxypentadecyl(triethyl)azanium?
15-carboxypentadecyl(triethyl)azanium has a molecular weight of 356.62 g/mol, XLogP of 6.41, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-carboxypentadecyl(triethyl)azanium is sourced from PubChem (CID 87850575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).