2-(dimethylamino)ethanol;octacosanoic acid

C32H67NO3 — CID 71441848

IUPAC2-(dimethylamino)ethanol;octacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CN(C)CCO
InChIInChI=1S/C28H56O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;1-5(2)3-4-6/h2-27H2,1H3,(H,29,30);6H,3-4H2,1-2H3
InChIKeyISWBWTPPZBHVNI-UHFFFAOYSA-N
MW513.89 g/mol
LogP9.77
Rot. Bonds28

About 2-(dimethylamino)ethanol;octacosanoic acid

2-(dimethylamino)ethanol;octacosanoic acid (PubChem CID 71441848) has the molecular formula C32H67NO3 and a molecular weight of 513.89 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;octacosanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;octacosanoic acid
PubChem CID71441848
Molecular FormulaC32H67NO3
Molecular Weight513.89 g/mol
Exact Mass513.51
IUPAC Name2-(dimethylamino)ethanol;octacosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CN(C)CCO
InChIInChI=1S/C28H56O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;1-5(2)3-4-6/h2-27H2,1H3,(H,29,30);6H,3-4H2,1-2H3
InChIKeyISWBWTPPZBHVNI-UHFFFAOYSA-N
XLogP9.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.89
LogP ≤ 59.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethanol;octacosanoic acid 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

2-(dimethylamino)ethanol;hexanedioic acid
CID 159637742
N,N-dimethylicosan-1-amine;hexanoic acid
CID 174595283
bis(octanoic acid);N,N,N',N'-tetramethylethane-1,2-diamine;zinc
CID 175605017
N,N-dimethylmethanamine;octanoic acid
CID 173098896
hexadecanoic acid;2-[2-hydroxyethyl(tetracosyl)amino]ethanol
CID 90146253
2-[heptadecyl(2-hydroxyethyl)amino]ethanol;octadecanoic acid
CID 90146098
2-[2-hydroxyethyl(icosyl)amino]ethanol;tetradecanoic acid
CID 158492988
docosanoic acid;2-[2-hydroxyethyl(tetradecyl)amino]ethanol
CID 158369485
docosanoic acid;N,N',N'-trimethylpropane-1,3-diamine
CID 172819174
decanoic acid;N',N'-dimethylpropane-1,3-diamine
CID 172855493
N',N'-dimethylpropane-1,3-diamine;octanoic acid
CID 172808646
3-(dimethylamino)propanamide;docosanoic acid
CID 87446955

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;octacosanoic acid?
The IUPAC name of 2-(dimethylamino)ethanol;octacosanoic acid (CID 71441848) is 2-(dimethylamino)ethanol;octacosanoic acid.
What is the SMILES notation for 2-(dimethylamino)ethanol;octacosanoic acid?
The canonical SMILES for 2-(dimethylamino)ethanol;octacosanoic acid is CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CN(C)CCO.
What is the InChIKey of 2-(dimethylamino)ethanol;octacosanoic acid?
The InChIKey is ISWBWTPPZBHVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;1-5(2)3-4-6/h2-27H2,1H3,(H,29,30);6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanol;octacosanoic acid?
2-(dimethylamino)ethanol;octacosanoic acid has a molecular weight of 513.89 g/mol, XLogP of 9.77, 28 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;octacosanoic acid is sourced from PubChem (CID 71441848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).