2-carboxytetradecan-2-yl-ethyl-dimethylazanium

C19H40NO2+ — CID 22564543

IUPAC2-carboxytetradecan-2-yl-ethyl-dimethylazanium
SMILESCCCCCCCCCCCCC(C)(C(=O)O)[N+](C)(C)CC
InChIInChI=1S/C19H39NO2/c1-6-8-9-10-11-12-13-14-15-16-17-19(3,18(21)22)20(4,5)7-2/h6-17H2,1-5H3/p+1
InChIKeyXBZMFGKICFSEAA-UHFFFAOYSA-O
MW314.53 g/mol
LogP5.24
Rot. Bonds14

About 2-carboxytetradecan-2-yl-ethyl-dimethylazanium

2-carboxytetradecan-2-yl-ethyl-dimethylazanium (PubChem CID 22564543) has the molecular formula C19H40NO2+ and a molecular weight of 314.53 g/mol. Its IUPAC name is 2-carboxytetradecan-2-yl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2-carboxytetradecan-2-yl-ethyl-dimethylazanium
PubChem CID22564543
Molecular FormulaC19H40NO2+
Molecular Weight314.53 g/mol
Exact Mass314.31
IUPAC Name2-carboxytetradecan-2-yl-ethyl-dimethylazanium
SMILESCCCCCCCCCCCCC(C)(C(=O)O)[N+](C)(C)CC
InChIInChI=1S/C19H39NO2/c1-6-8-9-10-11-12-13-14-15-16-17-19(3,18(21)22)20(4,5)7-2/h6-17H2,1-5H3/p+1
InChIKeyXBZMFGKICFSEAA-UHFFFAOYSA-O
XLogP5.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.53
LogP ≤ 55.24
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

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2-decyl-2-methyltetradecanoic acid
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2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methylicosanoic acid
CID 174997379
2-(2-carboxyicosan-2-ylsulfanyl)-2-methylicosanoic acid;2-(2-carboxytetradecan-2-ylsulfanyl)-2-methyltetradecanoic acid
CID 121452127
2-(2-carboxydodecan-2-ylsulfanyl)-2-methyldodecanoic acid
CID 22633720
2-(2-carboxynonan-2-ylsulfanyl)-2-methylnonanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-carboxytetradecan-2-yl-ethyl-dimethylazanium?
The IUPAC name of 2-carboxytetradecan-2-yl-ethyl-dimethylazanium (CID 22564543) is 2-carboxytetradecan-2-yl-ethyl-dimethylazanium.
What is the SMILES notation for 2-carboxytetradecan-2-yl-ethyl-dimethylazanium?
The canonical SMILES for 2-carboxytetradecan-2-yl-ethyl-dimethylazanium is CCCCCCCCCCCCC(C)(C(=O)O)[N+](C)(C)CC.
What is the InChIKey of 2-carboxytetradecan-2-yl-ethyl-dimethylazanium?
The InChIKey is XBZMFGKICFSEAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H39NO2/c1-6-8-9-10-11-12-13-14-15-16-17-19(3,18(21)22)20(4,5)7-2/h6-17H2,1-5H3/p+1.
What are the key properties of 2-carboxytetradecan-2-yl-ethyl-dimethylazanium?
2-carboxytetradecan-2-yl-ethyl-dimethylazanium has a molecular weight of 314.53 g/mol, XLogP of 5.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxytetradecan-2-yl-ethyl-dimethylazanium is sourced from PubChem (CID 22564543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).