4-tridecylmorpholine

C17H35NO — CID 11119135

IUPAC4-tridecylmorpholine
SMILESCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19-17-15-18/h2-17H2,1H3
InChIKeyZPHDKGGLKYRQBW-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.63
Rot. Bonds12

About 4-tridecylmorpholine

4-tridecylmorpholine (PubChem CID 11119135) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 4-tridecylmorpholine.

Molecular Properties

Compound Name4-tridecylmorpholine
PubChem CID11119135
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name4-tridecylmorpholine
SMILESCCCCCCCCCCCCCN1CCOCC1
InChIInChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19-17-15-18/h2-17H2,1H3
InChIKeyZPHDKGGLKYRQBW-UHFFFAOYSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tridecylmorpholine 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 4-tridecylmorpholine?
The IUPAC name of 4-tridecylmorpholine (CID 11119135) is 4-tridecylmorpholine.
What is the SMILES notation for 4-tridecylmorpholine?
The canonical SMILES for 4-tridecylmorpholine is CCCCCCCCCCCCCN1CCOCC1.
What is the InChIKey of 4-tridecylmorpholine?
The InChIKey is ZPHDKGGLKYRQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14-16-19-17-15-18/h2-17H2,1H3.
What are the key properties of 4-tridecylmorpholine?
4-tridecylmorpholine has a molecular weight of 269.47 g/mol, XLogP of 4.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tridecylmorpholine is sourced from PubChem (CID 11119135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).