8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal

C17H35NO3 — CID 170759309

IUPAC8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal
SMILESCC(O)CCCCCN(CCO)CCCCCCCC=O
InChIInChI=1S/C17H35NO3/c1-17(21)11-7-6-9-13-18(14-16-20)12-8-4-2-3-5-10-15-19/h15,17,20-21H,2-14,16H2,1H3
InChIKeyBAUAJPOPCVCCTH-UHFFFAOYSA-N
MW301.47 g/mol
LogP2.76
Rot. Bonds16

About 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal

8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal (PubChem CID 170759309) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal.

Molecular Properties

Compound Name8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal
PubChem CID170759309
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal
SMILESCC(O)CCCCCN(CCO)CCCCCCCC=O
InChIInChI=1S/C17H35NO3/c1-17(21)11-7-6-9-13-18(14-16-20)12-8-4-2-3-5-10-15-19/h15,17,20-21H,2-14,16H2,1H3
InChIKeyBAUAJPOPCVCCTH-UHFFFAOYSA-N
XLogP2.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal 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

12-hydroxytridecanal
CID 11961599
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
formic acid;8-[2-hydroxyethyl(9-methyltetradecyl)amino]octanal;9-methoxyheptadecane
CID 170754942
decan-2-yl 8-[2-hydroxyethyl(8-oxooctyl)amino]octanoate
CID 166923339
9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
2-hexyldecyl 8-[2-hydroxyethyl(8-oxooctyl)amino]octanoate
CID 176916994
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-(11-methyldodecyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 11510944
5-(didecylamino)pentanal
CID 162037939
7-(diethylamino)heptan-2-ol
CID 168866586
N-hexyl-8-[2-hydroxyethyl(8-oxooctyl)amino]-N-octyloctanamide
CID 170224488
formic acid;methanol;2-[8-octylhexadecyl(tetradecyl)amino]ethanol
CID 170755330
heptadecan-9-yl 7-[4-hydroxybutyl(6-oxohexyl)amino]heptanoate
CID 170790480

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal?
The IUPAC name of 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal (CID 170759309) is 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal.
What is the SMILES notation for 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal?
The canonical SMILES for 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal is CC(O)CCCCCN(CCO)CCCCCCCC=O.
What is the InChIKey of 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal?
The InChIKey is BAUAJPOPCVCCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-17(21)11-7-6-9-13-18(14-16-20)12-8-4-2-3-5-10-15-19/h15,17,20-21H,2-14,16H2,1H3.
What are the key properties of 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal?
8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal has a molecular weight of 301.47 g/mol, XLogP of 2.76, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal is sourced from PubChem (CID 170759309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).