2-[icosyl(methyl)amino]ethane-1,1-diol

C23H49NO2 — CID 141462336

IUPAC2-[icosyl(methyl)amino]ethane-1,1-diol
SMILESCCCCCCCCCCCCCCCCCCCCN(C)CC(O)O
InChIInChI=1S/C23H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-23(25)26/h23,25-26H,3-22H2,1-2H3
InChIKeyVNQDLHSLWILZOS-UHFFFAOYSA-N
MW371.65 g/mol
LogP6.27
Rot. Bonds21

About 2-[icosyl(methyl)amino]ethane-1,1-diol

2-[icosyl(methyl)amino]ethane-1,1-diol (PubChem CID 141462336) has the molecular formula C23H49NO2 and a molecular weight of 371.65 g/mol. Its IUPAC name is 2-[icosyl(methyl)amino]ethane-1,1-diol.

Molecular Properties

Compound Name2-[icosyl(methyl)amino]ethane-1,1-diol
PubChem CID141462336
Molecular FormulaC23H49NO2
Molecular Weight371.65 g/mol
Exact Mass371.38
IUPAC Name2-[icosyl(methyl)amino]ethane-1,1-diol
SMILESCCCCCCCCCCCCCCCCCCCCN(C)CC(O)O
InChIInChI=1S/C23H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-23(25)26/h23,25-26H,3-22H2,1-2H3
InChIKeyVNQDLHSLWILZOS-UHFFFAOYSA-N
XLogP6.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 56.27
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 2-[icosyl(methyl)amino]ethane-1,1-diol 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-[methyl(octyl)amino]propan-2-ol
CID 62333367
1-[6-[2-hydroxynonyl(methyl)amino]hexyl-methylamino]nonan-2-ol
CID 21332463
2-(dioctylamino)ethane-1,1-diol
CID 87744502
1-N-dodecyl-1-N,2-N,2-N-trimethylpropane-1,2-diamine
CID 139634498
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442

Frequently Asked Questions

What is the IUPAC name of 2-[icosyl(methyl)amino]ethane-1,1-diol?
The IUPAC name of 2-[icosyl(methyl)amino]ethane-1,1-diol (CID 141462336) is 2-[icosyl(methyl)amino]ethane-1,1-diol.
What is the SMILES notation for 2-[icosyl(methyl)amino]ethane-1,1-diol?
The canonical SMILES for 2-[icosyl(methyl)amino]ethane-1,1-diol is CCCCCCCCCCCCCCCCCCCCN(C)CC(O)O.
What is the InChIKey of 2-[icosyl(methyl)amino]ethane-1,1-diol?
The InChIKey is VNQDLHSLWILZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(2)22-23(25)26/h23,25-26H,3-22H2,1-2H3.
What are the key properties of 2-[icosyl(methyl)amino]ethane-1,1-diol?
2-[icosyl(methyl)amino]ethane-1,1-diol has a molecular weight of 371.65 g/mol, XLogP of 6.27, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[icosyl(methyl)amino]ethane-1,1-diol is sourced from PubChem (CID 141462336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).