N'-bromomorpholine-4-carboximidamide

C5H10BrN3O — CID 70860419

IUPACN'-bromomorpholine-4-carboximidamide
SMILESNC(=NBr)N1CCOCC1
InChIInChI=1S/C5H10BrN3O/c6-8-5(7)9-1-3-10-4-2-9/h1-4H2,(H2,7,8)
InChIKeyOFWUINZRQORSTQ-UHFFFAOYSA-N
MW208.06 g/mol
LogP-0.06
Rot. Bonds

About N'-bromomorpholine-4-carboximidamide

N'-bromomorpholine-4-carboximidamide (PubChem CID 70860419) has the molecular formula C5H10BrN3O and a molecular weight of 208.06 g/mol. Its IUPAC name is N'-bromomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-bromomorpholine-4-carboximidamide
PubChem CID70860419
Molecular FormulaC5H10BrN3O
Molecular Weight208.06 g/mol
Exact Mass207.00
IUPAC NameN'-bromomorpholine-4-carboximidamide
SMILESNC(=NBr)N1CCOCC1
InChIInChI=1S/C5H10BrN3O/c6-8-5(7)9-1-3-10-4-2-9/h1-4H2,(H2,7,8)
InChIKeyOFWUINZRQORSTQ-UHFFFAOYSA-N
XLogP-0.06
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.06
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
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 N'-bromomorpholine-4-carboximidamide?
The IUPAC name of N'-bromomorpholine-4-carboximidamide (CID 70860419) is N'-bromomorpholine-4-carboximidamide.
What is the SMILES notation for N'-bromomorpholine-4-carboximidamide?
The canonical SMILES for N'-bromomorpholine-4-carboximidamide is NC(=NBr)N1CCOCC1.
What is the InChIKey of N'-bromomorpholine-4-carboximidamide?
The InChIKey is OFWUINZRQORSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN3O/c6-8-5(7)9-1-3-10-4-2-9/h1-4H2,(H2,7,8).
What are the key properties of N'-bromomorpholine-4-carboximidamide?
N'-bromomorpholine-4-carboximidamide has a molecular weight of 208.06 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-bromomorpholine-4-carboximidamide is sourced from PubChem (CID 70860419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).