7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine

C13H23NO4 — CID 24828451

IUPAC7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
SMILESNCC1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C13H23NO4/c14-10-11-4-8-13(9-5-11)17-15-12(16-18-13)6-2-1-3-7-12/h11H,1-10,14H2
InChIKeyTUIHEAJJIRBSIC-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.40
Rot. Bonds1

About 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine

7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine (PubChem CID 24828451) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine.

Molecular Properties

Compound Name7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
PubChem CID24828451
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine
SMILESNCC1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C13H23NO4/c14-10-11-4-8-13(9-5-11)17-15-12(16-18-13)6-2-1-3-7-12/h11H,1-10,14H2
InChIKeyTUIHEAJJIRBSIC-UHFFFAOYSA-N
XLogP2.40
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine?
The IUPAC name of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine (CID 24828451) is 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine.
What is the SMILES notation for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine?
The canonical SMILES for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine is NCC1CCC2(CC1)OOC1(CCCCC1)OO2.
What is the InChIKey of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine?
The InChIKey is TUIHEAJJIRBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c14-10-11-4-8-13(9-5-11)17-15-12(16-18-13)6-2-1-3-7-12/h11H,1-10,14H2.
What are the key properties of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine?
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanamine is sourced from PubChem (CID 24828451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).