2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol

C38H79NO2 — CID 157153844

IUPAC2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CO)N(CCO)CCCCCCCCCCCC
InChIInChI=1S/C38H79NO2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-38(37-41)39(35-36-40)34-32-30-28-26-14-12-10-8-6-4-2/h38,40-41H,3-37H2,1-2H3
InChIKeyALOOYZXDPMIPBO-UHFFFAOYSA-N
MW582.06 g/mol
LogP11.77
Rot. Bonds36

About 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol

2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol (PubChem CID 157153844) has the molecular formula C38H79NO2 and a molecular weight of 582.06 g/mol. Its IUPAC name is 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol.

Molecular Properties

Compound Name2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
PubChem CID157153844
Molecular FormulaC38H79NO2
Molecular Weight582.06 g/mol
Exact Mass581.61
IUPAC Name2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCCCC(CO)N(CCO)CCCCCCCCCCCC
InChIInChI=1S/C38H79NO2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-38(37-41)39(35-36-40)34-32-30-28-26-14-12-10-8-6-4-2/h38,40-41H,3-37H2,1-2H3
InChIKeyALOOYZXDPMIPBO-UHFFFAOYSA-N
XLogP11.77
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.06
LogP ≤ 511.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol 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-[bis(2-hydroxyethyl)amino]hexadecan-1-ol;sulfuric acid
CID 162089252
azane;2-[bis(2-hydroxyethyl)amino]tetradecan-1-ol;sulfuric acid
CID 174235324
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981075
N,N-dibutyltridecan-4-amine
CID 139649762
N,N-dibutyldocosan-4-amine;hydrochloride
CID 88809757
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358
1-N,1-N,1-N',1-N'-tetrakis-decyldecane-1,1-diamine
CID 152588936
[2-[2-hydroxyethyl(1-hydroxyhexadecan-2-yl)amino]-2-oxoethyl]-trimethylazanium
CID 175579288
2-[octyl(10-pentylpentadecyl)amino]ethanol
CID 170755084
4-[ethyl(nonan-5-yl)amino]butan-1-ol
CID 88539737
3-[ethyl(pentyl)amino]pentan-1-ol
CID 168878790

Frequently Asked Questions

What is the IUPAC name of 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol?
The IUPAC name of 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol (CID 157153844) is 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol.
What is the SMILES notation for 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol?
The canonical SMILES for 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol is CCCCCCCCCCCCCCCCCCCCCCC(CO)N(CCO)CCCCCCCCCCCC.
What is the InChIKey of 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol?
The InChIKey is ALOOYZXDPMIPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H79NO2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-38(37-41)39(35-36-40)34-32-30-28-26-14-12-10-8-6-4-2/h38,40-41H,3-37H2,1-2H3.
What are the key properties of 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol?
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol has a molecular weight of 582.06 g/mol, XLogP of 11.77, 36 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol is sourced from PubChem (CID 157153844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).