2,6-dimethyl-4-tridecylmorpholin-4-ium

C19H40NO+ — CID 25201990

IUPAC2,6-dimethyl-4-tridecylmorpholin-4-ium
SMILESCCCCCCCCCCCCC[NH+]1CC(C)OC(C)C1
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3/p+1
InChIKeyYTOPFCCWCSOHFV-UHFFFAOYSA-O
MW298.53 g/mol
LogP3.99
Rot. Bonds12

About 2,6-dimethyl-4-tridecylmorpholin-4-ium

2,6-dimethyl-4-tridecylmorpholin-4-ium (PubChem CID 25201990) has the molecular formula C19H40NO+ and a molecular weight of 298.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-tridecylmorpholin-4-ium.

Molecular Properties

Compound Name2,6-dimethyl-4-tridecylmorpholin-4-ium
PubChem CID25201990
Molecular FormulaC19H40NO+
Molecular Weight298.53 g/mol
Exact Mass298.31
IUPAC Name2,6-dimethyl-4-tridecylmorpholin-4-ium
SMILESCCCCCCCCCCCCC[NH+]1CC(C)OC(C)C1
InChIInChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3/p+1
InChIKeyYTOPFCCWCSOHFV-UHFFFAOYSA-O
XLogP3.99
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-tridecylmorpholin-4-ium?
The IUPAC name of 2,6-dimethyl-4-tridecylmorpholin-4-ium (CID 25201990) is 2,6-dimethyl-4-tridecylmorpholin-4-ium.
What is the SMILES notation for 2,6-dimethyl-4-tridecylmorpholin-4-ium?
The canonical SMILES for 2,6-dimethyl-4-tridecylmorpholin-4-ium is CCCCCCCCCCCCC[NH+]1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethyl-4-tridecylmorpholin-4-ium?
The InChIKey is YTOPFCCWCSOHFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3H3/p+1.
What are the key properties of 2,6-dimethyl-4-tridecylmorpholin-4-ium?
2,6-dimethyl-4-tridecylmorpholin-4-ium has a molecular weight of 298.53 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-tridecylmorpholin-4-ium is sourced from PubChem (CID 25201990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).