2-(dimethylamino)tetracosanoic acid

C26H53NO2 — CID 19101458

IUPAC2-(dimethylamino)tetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)N(C)C
InChIInChI=1S/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(28)29)27(2)3/h25H,4-24H2,1-3H3,(H,28,29)
InChIKeyBEIDVBPNLUNFMQ-UHFFFAOYSA-N
MW411.72 g/mol
LogP8.21
Rot. Bonds23

About 2-(dimethylamino)tetracosanoic acid

2-(dimethylamino)tetracosanoic acid (PubChem CID 19101458) has the molecular formula C26H53NO2 and a molecular weight of 411.72 g/mol. Its IUPAC name is 2-(dimethylamino)tetracosanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)tetracosanoic acid
PubChem CID19101458
Molecular FormulaC26H53NO2
Molecular Weight411.72 g/mol
Exact Mass411.41
IUPAC Name2-(dimethylamino)tetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)N(C)C
InChIInChI=1S/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(28)29)27(2)3/h25H,4-24H2,1-3H3,(H,28,29)
InChIKeyBEIDVBPNLUNFMQ-UHFFFAOYSA-N
XLogP8.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.72
LogP ≤ 58.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
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)tetracosanoic acid?
The IUPAC name of 2-(dimethylamino)tetracosanoic acid (CID 19101458) is 2-(dimethylamino)tetracosanoic acid.
What is the SMILES notation for 2-(dimethylamino)tetracosanoic acid?
The canonical SMILES for 2-(dimethylamino)tetracosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)tetracosanoic acid?
The InChIKey is BEIDVBPNLUNFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26(28)29)27(2)3/h25H,4-24H2,1-3H3,(H,28,29).
What are the key properties of 2-(dimethylamino)tetracosanoic acid?
2-(dimethylamino)tetracosanoic acid has a molecular weight of 411.72 g/mol, XLogP of 8.21, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)tetracosanoic acid is sourced from PubChem (CID 19101458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).