8-[6-hydroxyhexyl(methyl)amino]octan-1-ol

C15H33NO2 — CID 19982345

IUPAC8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
SMILESCN(CCCCCCO)CCCCCCCCO
InChIInChI=1S/C15H33NO2/c1-16(13-9-5-7-11-15-18)12-8-4-2-3-6-10-14-17/h17-18H,2-15H2,1H3
InChIKeyIQZJIORIYYGYPA-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.80
Rot. Bonds14

About 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol

8-[6-hydroxyhexyl(methyl)amino]octan-1-ol (PubChem CID 19982345) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol.

Molecular Properties

Compound Name8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
PubChem CID19982345
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Name8-[6-hydroxyhexyl(methyl)amino]octan-1-ol
SMILESCN(CCCCCCO)CCCCCCCCO
InChIInChI=1S/C15H33NO2/c1-16(13-9-5-7-11-15-18)12-8-4-2-3-6-10-14-17/h17-18H,2-15H2,1H3
InChIKeyIQZJIORIYYGYPA-UHFFFAOYSA-N
XLogP2.80
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[6-hydroxyhexyl(methyl)amino]octan-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

4-[methyl(octyl)amino]butan-1-ol
CID 87238675
5-[methyl(6-sulfanylhexyl)amino]pentan-1-ol
CID 107207379
8-[4-hydroxybutyl(methyl)amino]octanoic acid
CID 170273810
3-[6-hydroxyhexyl(methyl)amino]propane-1-sulfonic acid
CID 90429262
4-[methyl(3-methylbutyl)amino]butan-1-ol
CID 61429001
1-[5-hydroxypentyl(methyl)amino]propan-2-one
CID 107201025
2-(dimethylamino)ethanol;ethane;4-[methyl(propyl)amino]butan-1-ol
CID 171562694
5-[2-chloroprop-2-enyl(methyl)amino]pentan-1-ol
CID 107203875
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[methyl(9-sulfanylnonyl)amino]ethanol
CID 105344075
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275

Frequently Asked Questions

What is the IUPAC name of 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol?
The IUPAC name of 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol (CID 19982345) is 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol.
What is the SMILES notation for 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol?
The canonical SMILES for 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol is CN(CCCCCCO)CCCCCCCCO.
What is the InChIKey of 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol?
The InChIKey is IQZJIORIYYGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO2/c1-16(13-9-5-7-11-15-18)12-8-4-2-3-6-10-14-17/h17-18H,2-15H2,1H3.
What are the key properties of 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol?
8-[6-hydroxyhexyl(methyl)amino]octan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 2.80, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-hydroxyhexyl(methyl)amino]octan-1-ol is sourced from PubChem (CID 19982345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).