2-(dimethylamino)-10-methylundecanoic acid

C14H29NO2 — CID 154202442

IUPAC2-(dimethylamino)-10-methylundecanoic acid
SMILESCC(C)CCCCCCCC(C(=O)O)N(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)10-8-6-5-7-9-11-13(14(16)17)15(3)4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyHYAZACIYSPTFMA-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.39
Rot. Bonds10

About 2-(dimethylamino)-10-methylundecanoic acid

2-(dimethylamino)-10-methylundecanoic acid (PubChem CID 154202442) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-(dimethylamino)-10-methylundecanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-10-methylundecanoic acid
PubChem CID154202442
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2-(dimethylamino)-10-methylundecanoic acid
SMILESCC(C)CCCCCCCC(C(=O)O)N(C)C
InChIInChI=1S/C14H29NO2/c1-12(2)10-8-6-5-7-9-11-13(14(16)17)15(3)4/h12-13H,5-11H2,1-4H3,(H,16,17)
InChIKeyHYAZACIYSPTFMA-UHFFFAOYSA-N
XLogP3.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.39
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)tetracosanoic acid
CID 19101458
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
(2S)-2-(dimethylamino)-6-(methylamino)hexanoic acid
CID 54093376
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
2,11-dimethyldodecanoic acid
CID 22251841
2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
2,9-dimethyldecanoic acid
CID 22251838
2-hydroxy-17-methyloctadecanoic acid
CID 23427391
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-10-methylundecanoic acid?
The IUPAC name of 2-(dimethylamino)-10-methylundecanoic acid (CID 154202442) is 2-(dimethylamino)-10-methylundecanoic acid.
What is the SMILES notation for 2-(dimethylamino)-10-methylundecanoic acid?
The canonical SMILES for 2-(dimethylamino)-10-methylundecanoic acid is CC(C)CCCCCCCC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-10-methylundecanoic acid?
The InChIKey is HYAZACIYSPTFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-12(2)10-8-6-5-7-9-11-13(14(16)17)15(3)4/h12-13H,5-11H2,1-4H3,(H,16,17).
What are the key properties of 2-(dimethylamino)-10-methylundecanoic acid?
2-(dimethylamino)-10-methylundecanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-10-methylundecanoic acid is sourced from PubChem (CID 154202442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).