decanoic acid;1-(dimethylamino)ethanol

C14H31NO3 — CID 173031587

IUPACdecanoic acid;1-(dimethylamino)ethanol
SMILESCC(O)N(C)C.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-4(6)5(2)3/h2-9H2,1H3,(H,11,12);4,6H,1-3H3
InChIKeyRYQVNBUDKDEFEN-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.10
Rot. Bonds9

About decanoic acid;1-(dimethylamino)ethanol

decanoic acid;1-(dimethylamino)ethanol (PubChem CID 173031587) has the molecular formula C14H31NO3 and a molecular weight of 261.41 g/mol. Its IUPAC name is decanoic acid;1-(dimethylamino)ethanol.

Molecular Properties

Compound Namedecanoic acid;1-(dimethylamino)ethanol
PubChem CID173031587
Molecular FormulaC14H31NO3
Molecular Weight261.41 g/mol
Exact Mass261.23
IUPAC Namedecanoic acid;1-(dimethylamino)ethanol
SMILESCC(O)N(C)C.CCCCCCCCCC(=O)O
InChIInChI=1S/C10H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-4(6)5(2)3/h2-9H2,1H3,(H,11,12);4,6H,1-3H3
InChIKeyRYQVNBUDKDEFEN-UHFFFAOYSA-N
XLogP3.10
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze decanoic acid;1-(dimethylamino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[bis(1-hydroxyethyl)amino]ethanol;tetradecanoic acid
CID 87531971
bis(dodecanoic acid);bis(propan-2-ol);zirconium
CID 158995387
butane-2,3-diol;octanoic acid
CID 174697206
N,N-dimethylmethanamine;octanoic acid
CID 173098896
octadecanoic acid;propan-2-ol;titanium;dihydroxide
CID 23104810
docosanoic acid;1-sulfanylethanol
CID 159479410
docosanoic acid;tetradecane
CID 157248197
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687
octane;octanoic acid
CID 88924420
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136

Frequently Asked Questions

What is the IUPAC name of decanoic acid;1-(dimethylamino)ethanol?
The IUPAC name of decanoic acid;1-(dimethylamino)ethanol (CID 173031587) is decanoic acid;1-(dimethylamino)ethanol.
What is the SMILES notation for decanoic acid;1-(dimethylamino)ethanol?
The canonical SMILES for decanoic acid;1-(dimethylamino)ethanol is CC(O)N(C)C.CCCCCCCCCC(=O)O.
What is the InChIKey of decanoic acid;1-(dimethylamino)ethanol?
The InChIKey is RYQVNBUDKDEFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10(11)12;1-4(6)5(2)3/h2-9H2,1H3,(H,11,12);4,6H,1-3H3.
What are the key properties of decanoic acid;1-(dimethylamino)ethanol?
decanoic acid;1-(dimethylamino)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;1-(dimethylamino)ethanol is sourced from PubChem (CID 173031587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).