2-(dimethylamino)tetradecanoate;trimethylazanium

C19H42N2O2 — CID 141413002

IUPAC2-(dimethylamino)tetradecanoate;trimethylazanium
SMILESCCCCCCCCCCCCC(C(=O)[O-])N(C)C.C[NH+](C)C
InChIInChI=1S/C16H33NO2.C3H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(2)3;1-4(2)3/h15H,4-14H2,1-3H3,(H,18,19);1-3H3
InChIKeyLJQMABFLDFREKC-UHFFFAOYSA-N
MW330.56 g/mol
LogP1.74
Rot. Bonds13

About 2-(dimethylamino)tetradecanoate;trimethylazanium

2-(dimethylamino)tetradecanoate;trimethylazanium (PubChem CID 141413002) has the molecular formula C19H42N2O2 and a molecular weight of 330.56 g/mol. Its IUPAC name is 2-(dimethylamino)tetradecanoate;trimethylazanium.

Molecular Properties

Compound Name2-(dimethylamino)tetradecanoate;trimethylazanium
PubChem CID141413002
Molecular FormulaC19H42N2O2
Molecular Weight330.56 g/mol
Exact Mass330.32
IUPAC Name2-(dimethylamino)tetradecanoate;trimethylazanium
SMILESCCCCCCCCCCCCC(C(=O)[O-])N(C)C.C[NH+](C)C
InChIInChI=1S/C16H33NO2.C3H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(2)3;1-4(2)3/h15H,4-14H2,1-3H3,(H,18,19);1-3H3
InChIKeyLJQMABFLDFREKC-UHFFFAOYSA-N
XLogP1.74
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.56
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
sodium 2-(didecylamino)heptanoate
CID 101314811
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
sodium 2-[di(tetradecyl)amino]hexanoate
CID 101314506
sodium 2-[di(docosyl)amino]hexanoate
CID 101314706
calcium bis(2-[di(pentadecyl)amino]hexanoate)
CID 101314532
potassium 2-[di(docosyl)amino]hexanoate
CID 101314705
calcium bis(2-[di(nonadecyl)amino]hexanoate)
CID 101314632
potassium 2-[di(undecyl)amino]hexanoate
CID 101314431

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)tetradecanoate;trimethylazanium?
The IUPAC name of 2-(dimethylamino)tetradecanoate;trimethylazanium (CID 141413002) is 2-(dimethylamino)tetradecanoate;trimethylazanium.
What is the SMILES notation for 2-(dimethylamino)tetradecanoate;trimethylazanium?
The canonical SMILES for 2-(dimethylamino)tetradecanoate;trimethylazanium is CCCCCCCCCCCCC(C(=O)[O-])N(C)C.C[NH+](C)C.
What is the InChIKey of 2-(dimethylamino)tetradecanoate;trimethylazanium?
The InChIKey is LJQMABFLDFREKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2.C3H9N/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(2)3;1-4(2)3/h15H,4-14H2,1-3H3,(H,18,19);1-3H3.
What are the key properties of 2-(dimethylamino)tetradecanoate;trimethylazanium?
2-(dimethylamino)tetradecanoate;trimethylazanium has a molecular weight of 330.56 g/mol, XLogP of 1.74, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)tetradecanoate;trimethylazanium is sourced from PubChem (CID 141413002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).