2-methylmorpholin-4-ium-4-carboximidamide

C6H14N3O+ — CID 173337149

IUPAC2-methylmorpholin-4-ium-4-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCOC(C)C1
InChIInChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)/p+1
InChIKeyZQBHJPVWZGKPBC-UHFFFAOYSA-O
MW144.20 g/mol
LogP-1.82
Rot. Bonds

About 2-methylmorpholin-4-ium-4-carboximidamide

2-methylmorpholin-4-ium-4-carboximidamide (PubChem CID 173337149) has the molecular formula C6H14N3O+ and a molecular weight of 144.20 g/mol. Its IUPAC name is 2-methylmorpholin-4-ium-4-carboximidamide.

Molecular Properties

Compound Name2-methylmorpholin-4-ium-4-carboximidamide
PubChem CID173337149
Molecular FormulaC6H14N3O+
Molecular Weight144.20 g/mol
Exact Mass144.11
IUPAC Name2-methylmorpholin-4-ium-4-carboximidamide
SMILES[H]/N=C(\N)[NH+]1CCOC(C)C1
InChIInChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)/p+1
InChIKeyZQBHJPVWZGKPBC-UHFFFAOYSA-O
XLogP-1.82
TPSA63.54 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholin-4-ium-4-carboximidamide?
The IUPAC name of 2-methylmorpholin-4-ium-4-carboximidamide (CID 173337149) is 2-methylmorpholin-4-ium-4-carboximidamide.
What is the SMILES notation for 2-methylmorpholin-4-ium-4-carboximidamide?
The canonical SMILES for 2-methylmorpholin-4-ium-4-carboximidamide is [H]/N=C(\N)[NH+]1CCOC(C)C1.
What is the InChIKey of 2-methylmorpholin-4-ium-4-carboximidamide?
The InChIKey is ZQBHJPVWZGKPBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N3O/c1-5-4-9(6(7)8)2-3-10-5/h5H,2-4H2,1H3,(H3,7,8)/p+1.
What are the key properties of 2-methylmorpholin-4-ium-4-carboximidamide?
2-methylmorpholin-4-ium-4-carboximidamide has a molecular weight of 144.20 g/mol, XLogP of -1.82, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholin-4-ium-4-carboximidamide is sourced from PubChem (CID 173337149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).