4-methylmorpholin-4-ium-4-amine iodide

C5H13IN2O — CID 11984517

IUPAC4-methylmorpholin-4-ium-4-amine iodide
SMILESC[N+]1(N)CCOCC1.[I-]
InChIInChI=1S/C5H13N2O.HI/c1-7(6)2-4-8-5-3-7;/h2-6H2,1H3;1H/q+1;/p-1
InChIKeyGNSAJFKLUUCEEO-UHFFFAOYSA-M
MW244.08 g/mol
LogP-3.66
Rot. Bonds

About 4-methylmorpholin-4-ium-4-amine iodide

4-methylmorpholin-4-ium-4-amine iodide (PubChem CID 11984517) has the molecular formula C5H13IN2O and a molecular weight of 244.08 g/mol. Its IUPAC name is 4-methylmorpholin-4-ium-4-amine iodide.

Molecular Properties

Compound Name4-methylmorpholin-4-ium-4-amine iodide
PubChem CID11984517
Molecular FormulaC5H13IN2O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name4-methylmorpholin-4-ium-4-amine iodide
SMILESC[N+]1(N)CCOCC1.[I-]
InChIInChI=1S/C5H13N2O.HI/c1-7(6)2-4-8-5-3-7;/h2-6H2,1H3;1H/q+1;/p-1
InChIKeyGNSAJFKLUUCEEO-UHFFFAOYSA-M
XLogP-3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-4-ium-4-amine iodide?
The IUPAC name of 4-methylmorpholin-4-ium-4-amine iodide (CID 11984517) is 4-methylmorpholin-4-ium-4-amine iodide.
What is the SMILES notation for 4-methylmorpholin-4-ium-4-amine iodide?
The canonical SMILES for 4-methylmorpholin-4-ium-4-amine iodide is C[N+]1(N)CCOCC1.[I-].
What is the InChIKey of 4-methylmorpholin-4-ium-4-amine iodide?
The InChIKey is GNSAJFKLUUCEEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H13N2O.HI/c1-7(6)2-4-8-5-3-7;/h2-6H2,1H3;1H/q+1;/p-1.
What are the key properties of 4-methylmorpholin-4-ium-4-amine iodide?
4-methylmorpholin-4-ium-4-amine iodide has a molecular weight of 244.08 g/mol, XLogP of -3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-4-ium-4-amine iodide is sourced from PubChem (CID 11984517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).