2,6-dimethylmorpholine-4-carboximidamide;hydrobromide

C7H16BrN3O — CID 2806562

IUPAC2,6-dimethylmorpholine-4-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N)N1CC(C)OC(C)C1
InChIInChI=1S/C7H15N3O.BrH/c1-5-3-10(7(8)9)4-6(2)11-5;/h5-6H,3-4H2,1-2H3,(H3,8,9);1H
InChIKeyQHSSSKMWGGMZMN-UHFFFAOYSA-N
MW238.13 g/mol
LogP0.57
Rot. Bonds

About 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide

2,6-dimethylmorpholine-4-carboximidamide;hydrobromide (PubChem CID 2806562) has the molecular formula C7H16BrN3O and a molecular weight of 238.13 g/mol. Its IUPAC name is 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide.

Molecular Properties

Compound Name2,6-dimethylmorpholine-4-carboximidamide;hydrobromide
PubChem CID2806562
Molecular FormulaC7H16BrN3O
Molecular Weight238.13 g/mol
Exact Mass237.05
IUPAC Name2,6-dimethylmorpholine-4-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N)N1CC(C)OC(C)C1
InChIInChI=1S/C7H15N3O.BrH/c1-5-3-10(7(8)9)4-6(2)11-5;/h5-6H,3-4H2,1-2H3,(H3,8,9);1H
InChIKeyQHSSSKMWGGMZMN-UHFFFAOYSA-N
XLogP0.57
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 50.57
H-Bond Donors ≤ 52
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 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide?
The IUPAC name of 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide (CID 2806562) is 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide.
What is the SMILES notation for 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide?
The canonical SMILES for 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide is Br.[H]/N=C(\N)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide?
The InChIKey is QHSSSKMWGGMZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.BrH/c1-5-3-10(7(8)9)4-6(2)11-5;/h5-6H,3-4H2,1-2H3,(H3,8,9);1H.
What are the key properties of 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide?
2,6-dimethylmorpholine-4-carboximidamide;hydrobromide has a molecular weight of 238.13 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylmorpholine-4-carboximidamide;hydrobromide is sourced from PubChem (CID 2806562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).