10-[4-hydroxybutyl(10-oxodecyl)amino]decanal

C24H47NO3 — CID 170733192

IUPAC10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
SMILESO=CCCCCCCCCCN(CCCCO)CCCCCCCCCC=O
InChIInChI=1S/C24H47NO3/c26-22-16-11-7-3-1-5-9-13-19-25(21-15-18-24-28)20-14-10-6-2-4-8-12-17-23-27/h22-23,28H,1-21,24H2
InChIKeyJBUXXGBVUWKGKS-UHFFFAOYSA-N
MW397.64 g/mol
LogP5.70
Rot. Bonds24

About 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal

10-[4-hydroxybutyl(10-oxodecyl)amino]decanal (PubChem CID 170733192) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal.

Molecular Properties

Compound Name10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
PubChem CID170733192
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
SMILESO=CCCCCCCCCCN(CCCCO)CCCCCCCCCC=O
InChIInChI=1S/C24H47NO3/c26-22-16-11-7-3-1-5-9-13-19-25(21-15-18-24-28)20-14-10-6-2-4-8-12-17-23-27/h22-23,28H,1-21,24H2
InChIKeyJBUXXGBVUWKGKS-UHFFFAOYSA-N
XLogP5.70
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-[heptyl(4-hydroxybutyl)amino]nonanal
CID 170023056
25-hydroxypentacosanal
CID 90897330
34-hydroxytetratriacontanal
CID 123873694
17-hydroxyheptadecanal
CID 134210784
(Z)-18-hydroxyoctadec-9-enal
CID 173172919
5-(didecylamino)pentanal
CID 162037939
8-[2-hydroxyethyl(6-hydroxyheptyl)amino]octanal
CID 170759309
3-[3,3-dimethylbutyl(4-hydroxybutyl)amino]propanal
CID 144617029
octyl 9-[4-hydroxybutyl(8-oxooctyl)amino]nonanoate
CID 169229346
docosan-1-ol;icosanal;tricosan-1-ol
CID 161210257
6-(dicyclohexylamino)hexanal;6-(dicyclohexylamino)hexan-1-ol
CID 158863478
disodium;18-hydroxyoctadecanal;sulfate
CID 173313883

Frequently Asked Questions

What is the IUPAC name of 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal?
The IUPAC name of 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal (CID 170733192) is 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal.
What is the SMILES notation for 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal?
The canonical SMILES for 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal is O=CCCCCCCCCCN(CCCCO)CCCCCCCCCC=O.
What is the InChIKey of 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal?
The InChIKey is JBUXXGBVUWKGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c26-22-16-11-7-3-1-5-9-13-19-25(21-15-18-24-28)20-14-10-6-2-4-8-12-17-23-27/h22-23,28H,1-21,24H2.
What are the key properties of 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal?
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal has a molecular weight of 397.64 g/mol, XLogP of 5.70, 24 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-hydroxybutyl(10-oxodecyl)amino]decanal is sourced from PubChem (CID 170733192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).