2-[hexacosan-13-yl(methyl)amino]ethanol

C29H61NO — CID 87981075

IUPAC2-[hexacosan-13-yl(methyl)amino]ethanol
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCC)N(C)CCO
InChIInChI=1S/C29H61NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(30(3)27-28-31)25-23-21-19-17-15-13-11-9-7-5-2/h29,31H,4-28H2,1-3H3
InChIKeyPADMCFHGLCZBEX-UHFFFAOYSA-N
MW439.81 g/mol
LogP9.29
Rot. Bonds26

About 2-[hexacosan-13-yl(methyl)amino]ethanol

2-[hexacosan-13-yl(methyl)amino]ethanol (PubChem CID 87981075) has the molecular formula C29H61NO and a molecular weight of 439.81 g/mol. Its IUPAC name is 2-[hexacosan-13-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[hexacosan-13-yl(methyl)amino]ethanol
PubChem CID87981075
Molecular FormulaC29H61NO
Molecular Weight439.81 g/mol
Exact Mass439.48
IUPAC Name2-[hexacosan-13-yl(methyl)amino]ethanol
SMILESCCCCCCCCCCCCCC(CCCCCCCCCCCC)N(C)CCO
InChIInChI=1S/C29H61NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(30(3)27-28-31)25-23-21-19-17-15-13-11-9-7-5-2/h29,31H,4-28H2,1-3H3
InChIKeyPADMCFHGLCZBEX-UHFFFAOYSA-N
XLogP9.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.81
LogP ≤ 59.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[hexacosan-13-yl(methyl)amino]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

diethyl hydrogen phosphate;2-[hexacosan-13-yl(methyl)amino]ethanol
CID 87981074
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
N-butyl-N-methylnonan-5-amine
CID 175231488
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
2-[hexan-2-yl(methyl)amino]ethanol
CID 88539909
1-O-(2-butyloctyl) 19-O-octyl 10-[2-hydroxyethyl(methyl)amino]nonadecanedioate
CID 146638774
4-[heptan-4-yl(methyl)amino]butan-1-ol
CID 88539723
N,N-dimethyltetracontan-19-amine
CID 45382230
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
(6Z,9Z,28Z,31Z)-N-methyl-N-[(9Z,12Z)-octadeca-9,12-dienyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 134205277
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
2-[bis(2-hydroxyethyl)amino]hexadecan-1-ol;sulfuric acid
CID 162089252

Frequently Asked Questions

What is the IUPAC name of 2-[hexacosan-13-yl(methyl)amino]ethanol?
The IUPAC name of 2-[hexacosan-13-yl(methyl)amino]ethanol (CID 87981075) is 2-[hexacosan-13-yl(methyl)amino]ethanol.
What is the SMILES notation for 2-[hexacosan-13-yl(methyl)amino]ethanol?
The canonical SMILES for 2-[hexacosan-13-yl(methyl)amino]ethanol is CCCCCCCCCCCCCC(CCCCCCCCCCCC)N(C)CCO.
What is the InChIKey of 2-[hexacosan-13-yl(methyl)amino]ethanol?
The InChIKey is PADMCFHGLCZBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H61NO/c1-4-6-8-10-12-14-16-18-20-22-24-26-29(30(3)27-28-31)25-23-21-19-17-15-13-11-9-7-5-2/h29,31H,4-28H2,1-3H3.
What are the key properties of 2-[hexacosan-13-yl(methyl)amino]ethanol?
2-[hexacosan-13-yl(methyl)amino]ethanol has a molecular weight of 439.81 g/mol, XLogP of 9.29, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hexacosan-13-yl(methyl)amino]ethanol is sourced from PubChem (CID 87981075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).