2-(dimethylamino)tetradecanoic acid;hydroiodide

C16H34INO2 — CID 122684236

IUPAC2-(dimethylamino)tetradecanoic acid;hydroiodide
SMILESCCCCCCCCCCCCC(C(=O)O)N(C)C.I
InChIInChI=1S/C16H33NO2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(2)3;/h15H,4-14H2,1-3H3,(H,18,19);1H
InChIKeySWDKJUQEQOWLTN-UHFFFAOYSA-N
MW399.36 g/mol
LogP4.93
Rot. Bonds13

About 2-(dimethylamino)tetradecanoic acid;hydroiodide

2-(dimethylamino)tetradecanoic acid;hydroiodide (PubChem CID 122684236) has the molecular formula C16H34INO2 and a molecular weight of 399.36 g/mol. Its IUPAC name is 2-(dimethylamino)tetradecanoic acid;hydroiodide.

Molecular Properties

Compound Name2-(dimethylamino)tetradecanoic acid;hydroiodide
PubChem CID122684236
Molecular FormulaC16H34INO2
Molecular Weight399.36 g/mol
Exact Mass399.16
IUPAC Name2-(dimethylamino)tetradecanoic acid;hydroiodide
SMILESCCCCCCCCCCCCC(C(=O)O)N(C)C.I
InChIInChI=1S/C16H33NO2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(2)3;/h15H,4-14H2,1-3H3,(H,18,19);1H
InChIKeySWDKJUQEQOWLTN-UHFFFAOYSA-N
XLogP4.93
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-(dimethylamino)pentanoic acid;dodecan-1-amine
CID 172752605
2-(dimethylamino)-10-methylundecanoic acid
CID 154202442
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
2-[acetyl(propyl)amino]octanoic acid
CID 63702958
2-(diethylamino)heptanoic acid
CID 43803668
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(dimethylamino)tetradecanoate;trimethylazanium
CID 141413002

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)tetradecanoic acid;hydroiodide?
The IUPAC name of 2-(dimethylamino)tetradecanoic acid;hydroiodide (CID 122684236) is 2-(dimethylamino)tetradecanoic acid;hydroiodide.
What is the SMILES notation for 2-(dimethylamino)tetradecanoic acid;hydroiodide?
The canonical SMILES for 2-(dimethylamino)tetradecanoic acid;hydroiodide is CCCCCCCCCCCCC(C(=O)O)N(C)C.I.
What is the InChIKey of 2-(dimethylamino)tetradecanoic acid;hydroiodide?
The InChIKey is SWDKJUQEQOWLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(2)3;/h15H,4-14H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-(dimethylamino)tetradecanoic acid;hydroiodide?
2-(dimethylamino)tetradecanoic acid;hydroiodide has a molecular weight of 399.36 g/mol, XLogP of 4.93, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)tetradecanoic acid;hydroiodide is sourced from PubChem (CID 122684236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).