methyl(morpholin-4-yl)azanium iodide

C5H13IN2O — CID 139948405

IUPACmethyl(morpholin-4-yl)azanium iodide
SMILESC[NH2+]N1CCOCC1.[I-]
InChIInChI=1S/C5H12N2O.HI/c1-6-7-2-4-8-5-3-7;/h6H,2-5H2,1H3;1H
InChIKeyCZKHSRFJUGEWPT-UHFFFAOYSA-N
MW244.08 g/mol
LogP-4.57
Rot. Bonds1

About methyl(morpholin-4-yl)azanium iodide

methyl(morpholin-4-yl)azanium iodide (PubChem CID 139948405) has the molecular formula C5H13IN2O and a molecular weight of 244.08 g/mol. Its IUPAC name is methyl(morpholin-4-yl)azanium iodide.

Molecular Properties

Compound Namemethyl(morpholin-4-yl)azanium iodide
PubChem CID139948405
Molecular FormulaC5H13IN2O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Namemethyl(morpholin-4-yl)azanium iodide
SMILESC[NH2+]N1CCOCC1.[I-]
InChIInChI=1S/C5H12N2O.HI/c1-6-7-2-4-8-5-3-7;/h6H,2-5H2,1H3;1H
InChIKeyCZKHSRFJUGEWPT-UHFFFAOYSA-N
XLogP-4.57
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 5-4.57
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl(morpholin-4-yl)azanium iodide?
The IUPAC name of methyl(morpholin-4-yl)azanium iodide (CID 139948405) is methyl(morpholin-4-yl)azanium iodide.
What is the SMILES notation for methyl(morpholin-4-yl)azanium iodide?
The canonical SMILES for methyl(morpholin-4-yl)azanium iodide is C[NH2+]N1CCOCC1.[I-].
What is the InChIKey of methyl(morpholin-4-yl)azanium iodide?
The InChIKey is CZKHSRFJUGEWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.HI/c1-6-7-2-4-8-5-3-7;/h6H,2-5H2,1H3;1H.
What are the key properties of methyl(morpholin-4-yl)azanium iodide?
methyl(morpholin-4-yl)azanium iodide has a molecular weight of 244.08 g/mol, XLogP of -4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(morpholin-4-yl)azanium iodide is sourced from PubChem (CID 139948405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).