7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane

C20H39NO — CID 126626538

IUPAC7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCCCCCC(CCCCCC)N1CCC2(CC1)COC2
InChIInChI=1S/C20H39NO/c1-3-5-7-9-11-19(12-10-8-6-4-2)21-15-13-20(14-16-21)17-22-18-20/h19H,3-18H2,1-2H3
InChIKeyFMVJSKOLUAGNQL-UHFFFAOYSA-N
MW309.54 g/mol
LogP5.41
Rot. Bonds11

About 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane

7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane (PubChem CID 126626538) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane
PubChem CID126626538
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane
SMILESCCCCCCC(CCCCCC)N1CCC2(CC1)COC2
InChIInChI=1S/C20H39NO/c1-3-5-7-9-11-19(12-10-8-6-4-2)21-15-13-20(14-16-21)17-22-18-20/h19H,3-18H2,1-2H3
InChIKeyFMVJSKOLUAGNQL-UHFFFAOYSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane 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-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane?
The IUPAC name of 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane (CID 126626538) is 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane is CCCCCCC(CCCCCC)N1CCC2(CC1)COC2.
What is the InChIKey of 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane?
The InChIKey is FMVJSKOLUAGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-3-5-7-9-11-19(12-10-8-6-4-2)21-15-13-20(14-16-21)17-22-18-20/h19H,3-18H2,1-2H3.
What are the key properties of 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane?
7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane has a molecular weight of 309.54 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tridecan-7-yl-2-oxa-7-azaspiro[3.5]nonane is sourced from PubChem (CID 126626538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).