2,6-dimethylmorpholine-4-carboximidamide bromide

C7H15BrN3O- — CID 45108822

IUPAC2,6-dimethylmorpholine-4-carboximidamide bromide
SMILES[Br-].[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/p-1
InChIKeyQHSSSKMWGGMZMN-UHFFFAOYSA-M
MW237.12 g/mol
LogP-3.01
Rot. Bonds

About 2,6-dimethylmorpholine-4-carboximidamide bromide

2,6-dimethylmorpholine-4-carboximidamide bromide (PubChem CID 45108822) has the molecular formula C7H15BrN3O- and a molecular weight of 237.12 g/mol. Its IUPAC name is 2,6-dimethylmorpholine-4-carboximidamide bromide.

Molecular Properties

Compound Name2,6-dimethylmorpholine-4-carboximidamide bromide
PubChem CID45108822
Molecular FormulaC7H15BrN3O-
Molecular Weight237.12 g/mol
Exact Mass236.04
IUPAC Name2,6-dimethylmorpholine-4-carboximidamide bromide
SMILES[Br-].[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/p-1
InChIKeyQHSSSKMWGGMZMN-UHFFFAOYSA-M
XLogP-3.01
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 5-3.01
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 bromide?
The IUPAC name of 2,6-dimethylmorpholine-4-carboximidamide bromide (CID 45108822) is 2,6-dimethylmorpholine-4-carboximidamide bromide.
What is the SMILES notation for 2,6-dimethylmorpholine-4-carboximidamide bromide?
The canonical SMILES for 2,6-dimethylmorpholine-4-carboximidamide bromide is [Br-].[H]/N=C(\N)N1CC(C)OC(C)C1.
What is the InChIKey of 2,6-dimethylmorpholine-4-carboximidamide bromide?
The InChIKey is QHSSSKMWGGMZMN-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2,6-dimethylmorpholine-4-carboximidamide bromide?
2,6-dimethylmorpholine-4-carboximidamide bromide has a molecular weight of 237.12 g/mol, XLogP of -3.01, 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 bromide is sourced from PubChem (CID 45108822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).