CID 5708810

C5H13IN4O — CID 5708810

IUPACN'-aminomorpholine-4-carboximidamide;hydroiodide
SMILESC1COCCN1/C(=N\N)/N.I
InChIInChI=1S/C5H12N4O.HI/c6-5(8-7)9-1-3-10-4-2-9;/h1-4,7H2,(H2,6,8);1H
InChIKeyYXNSDJJTIYZVOV-UHFFFAOYSA-N
MW272.09 g/mol
LogP—
Rot. Bonds1

About CID 5708810

CID 5708810 (PubChem CID 5708810) has the molecular formula C5H13IN4O and a molecular weight of 272.09 g/mol. Its IUPAC name is N'-aminomorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameCID 5708810
PubChem CID5708810
Molecular FormulaC5H13IN4O
Molecular Weight272.09 g/mol
Exact Mass272.01
IUPAC NameN'-aminomorpholine-4-carboximidamide;hydroiodide
SMILESC1COCCN1/C(=N\N)/N.I
InChIInChI=1S/C5H12N4O.HI/c6-5(8-7)9-1-3-10-4-2-9;/h1-4,7H2,(H2,6,8);1H
InChIKeyYXNSDJJTIYZVOV-UHFFFAOYSA-N
XLogP—
TPSA76.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity130

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Moroxydine
CID 71655
Moroxydine hydrochloride
CID 76621
Morpholine-4-carboximidamide Hydroiodide
CID 2778396
Moroxydine (hydrochloride)
CID 137345966
N'-carbamimidoylmorpholine-4-carboximidamide
CID 137345967
Morpholinoamidine
CID 205053
Morpholine-4-carboximidamide Hydrobromide
CID 2806564
N'-carbamimidoylmorpholine-4-carboximidamide;hydrochloride
CID 137704772
N'-aminomorpholine-4-carboximidamide
CID 5708811
Morpholine-4-carboximidamide hydrochloride
CID 12427952
Bioxin
CID 45357081
N-(aminoiminomethyl)-4-morpholinecarboximidamide mono-hydrochloride
CID 85988431

Frequently Asked Questions

What is the IUPAC name of CID 5708810?
The IUPAC name of CID 5708810 (CID 5708810) is N'-aminomorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for CID 5708810?
The canonical SMILES for CID 5708810 is C1COCCN1/C(=N\N)/N.I.
What is the InChIKey of CID 5708810?
The InChIKey is YXNSDJJTIYZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O.HI/c6-5(8-7)9-1-3-10-4-2-9;/h1-4,7H2,(H2,6,8);1H.
What are the key properties of CID 5708810?
CID 5708810 has a molecular weight of 272.09 g/mol, XLogP of not available, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5708810 is sourced from PubChem (CID 5708810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).