6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate

C34H67NO5 — CID 171808087

IUPAC6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCO)CCCCCCOC=O
InChIInChI=1S/C34H67NO5/c1-3-5-7-9-10-17-25-33(24-16-8-6-4-2)34(38)40-31-23-14-12-19-27-35(28-20-15-21-29-36)26-18-11-13-22-30-39-32-37/h32-33,36H,3-31H2,1-2H3
InChIKeyXTUAFZHYVIIPDG-UHFFFAOYSA-N
MW569.91 g/mol
LogP8.63
Rot. Bonds33

About 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate

6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate (PubChem CID 171808087) has the molecular formula C34H67NO5 and a molecular weight of 569.91 g/mol. Its IUPAC name is 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate.

Molecular Properties

Compound Name6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate
PubChem CID171808087
Molecular FormulaC34H67NO5
Molecular Weight569.91 g/mol
Exact Mass569.50
IUPAC Name6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate
SMILESCCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCO)CCCCCCOC=O
InChIInChI=1S/C34H67NO5/c1-3-5-7-9-10-17-25-33(24-16-8-6-4-2)34(38)40-31-23-14-12-19-27-35(28-20-15-21-29-36)26-18-11-13-22-30-39-32-37/h32-33,36H,3-31H2,1-2H3
InChIKeyXTUAFZHYVIIPDG-UHFFFAOYSA-N
XLogP8.63
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.91
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate 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

7-[6-(2-decyltetradecanoyloxy)hexyl-(4-hydroxybutyl)amino]heptyl 2-decyltetradecanoate
CID 170734685
6-[4-hydroxybutyl-[6-(2-octyldodecanoyloxy)hexyl]amino]hexyl 2-nonyltridecanoate
CID 171760702
6-[6-(2-hexyloctanoyloxy)hexyl-(4-hydroxybutyl)amino]hexyl 2-hexyldecanoate
CID 153283994
6-[6-[(2S)-2-hexyldecanoyl]oxyhexyl-(6-hydroxyhexyl)amino]hexyl 2-hexyldecanoate
CID 137396856
4-[4-hydroxybutyl(3-hydroxypropyl)amino]butyl 2-hexylnonanoate
CID 170023110
4-[4-(2-butyldecanoyloxy)butyl-(4-hydroxybutyl)amino]butyl 2-hexyldecanoate;propane
CID 170567542
6-[4-hydroxybutyl(6-methoxyhexyl)amino]hexyl 2-decyltetradecanoate
CID 166805449
7-[2-[7-(2-hexyldecanoyloxy)heptyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]heptyl 2-hexyldecanoate
CID 172572343
6-[4-hydroxybutyl-[6-(3-octyltridec-1-en-2-yloxy)hexyl]amino]hexyl 2-octyldodecanoate
CID 156751276
12-[3-hydroxypropyl(12-methoxydodecyl)amino]dodecyl 2-heptyldecanoate
CID 170023165
7-[6-[(E)-2-hexyldec-8-enoyl]oxyhexyl-(6-hydroxyhexyl)amino]heptyl 2-hexyldecanoate
CID 174355599
9-hydroxynonyl 2-hexyldecanoate
CID 118599831

Frequently Asked Questions

What is the IUPAC name of 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate?
The IUPAC name of 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate (CID 171808087) is 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate.
What is the SMILES notation for 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate?
The canonical SMILES for 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate is CCCCCCCCC(CCCCCC)C(=O)OCCCCCCN(CCCCCO)CCCCCCOC=O.
What is the InChIKey of 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate?
The InChIKey is XTUAFZHYVIIPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO5/c1-3-5-7-9-10-17-25-33(24-16-8-6-4-2)34(38)40-31-23-14-12-19-27-35(28-20-15-21-29-36)26-18-11-13-22-30-39-32-37/h32-33,36H,3-31H2,1-2H3.
What are the key properties of 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate?
6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate has a molecular weight of 569.91 g/mol, XLogP of 8.63, 33 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-formyloxyhexyl(5-hydroxypentyl)amino]hexyl 2-hexyldecanoate is sourced from PubChem (CID 171808087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).