hydron;morpholine-4-carboximidamide;bromide

C5H12BrN3O — CID 68871488

IUPAChydron;morpholine-4-carboximidamide;bromide
SMILES[Br-].[H+].[H]/N=C(\N)N1CCOCC1
InChIInChI=1S/C5H11N3O.BrH/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
InChIKeyIOHSDHMCZXCESZ-UHFFFAOYSA-N
MW210.07 g/mol
LogP-3.67
Rot. Bonds

About hydron;morpholine-4-carboximidamide;bromide

hydron;morpholine-4-carboximidamide;bromide (PubChem CID 68871488) has the molecular formula C5H12BrN3O and a molecular weight of 210.07 g/mol. Its IUPAC name is hydron;morpholine-4-carboximidamide;bromide.

Molecular Properties

Compound Namehydron;morpholine-4-carboximidamide;bromide
PubChem CID68871488
Molecular FormulaC5H12BrN3O
Molecular Weight210.07 g/mol
Exact Mass209.02
IUPAC Namehydron;morpholine-4-carboximidamide;bromide
SMILES[Br-].[H+].[H]/N=C(\N)N1CCOCC1
InChIInChI=1S/C5H11N3O.BrH/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H
InChIKeyIOHSDHMCZXCESZ-UHFFFAOYSA-N
XLogP-3.67
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 5-3.67
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 hydron;morpholine-4-carboximidamide;bromide?
The IUPAC name of hydron;morpholine-4-carboximidamide;bromide (CID 68871488) is hydron;morpholine-4-carboximidamide;bromide.
What is the SMILES notation for hydron;morpholine-4-carboximidamide;bromide?
The canonical SMILES for hydron;morpholine-4-carboximidamide;bromide is [Br-].[H+].[H]/N=C(\N)N1CCOCC1.
What is the InChIKey of hydron;morpholine-4-carboximidamide;bromide?
The InChIKey is IOHSDHMCZXCESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O.BrH/c6-5(7)8-1-3-9-4-2-8;/h1-4H2,(H3,6,7);1H.
What are the key properties of hydron;morpholine-4-carboximidamide;bromide?
hydron;morpholine-4-carboximidamide;bromide has a molecular weight of 210.07 g/mol, XLogP of -3.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;morpholine-4-carboximidamide;bromide is sourced from PubChem (CID 68871488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).