4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium

C13H24NO+ — CID 59019023

IUPAC4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium
SMILESC=CCCC/C=C/C[N+]1(C)CCOCC1
InChIInChI=1S/C13H24NO/c1-3-4-5-6-7-8-9-14(2)10-12-15-13-11-14/h3,7-8H,1,4-6,9-13H2,2H3/q+1/b8-7+
InChIKeyWEHMUSUWYVOEGH-BQYQJAHWSA-N
MW210.34 g/mol
LogP2.38
Rot. Bonds6

About 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium

4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium (PubChem CID 59019023) has the molecular formula C13H24NO+ and a molecular weight of 210.34 g/mol. Its IUPAC name is 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium.

Molecular Properties

Compound Name4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium
PubChem CID59019023
Molecular FormulaC13H24NO+
Molecular Weight210.34 g/mol
Exact Mass210.19
IUPAC Name4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium
SMILESC=CCCC/C=C/C[N+]1(C)CCOCC1
InChIInChI=1S/C13H24NO/c1-3-4-5-6-7-8-9-14(2)10-12-15-13-11-14/h3,7-8H,1,4-6,9-13H2,2H3/q+1/b8-7+
InChIKeyWEHMUSUWYVOEGH-BQYQJAHWSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium 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-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium?
The IUPAC name of 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium (CID 59019023) is 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium.
What is the SMILES notation for 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium?
The canonical SMILES for 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium is C=CCCC/C=C/C[N+]1(C)CCOCC1.
What is the InChIKey of 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium?
The InChIKey is WEHMUSUWYVOEGH-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H24NO/c1-3-4-5-6-7-8-9-14(2)10-12-15-13-11-14/h3,7-8H,1,4-6,9-13H2,2H3/q+1/b8-7+.
What are the key properties of 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium?
4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium has a molecular weight of 210.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[(2E)-octa-2,7-dienyl]morpholin-4-ium is sourced from PubChem (CID 59019023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).