N'-isocyanomorpholine-4-carboximidamide

C6H10N4O — CID 20631485

IUPACN'-isocyanomorpholine-4-carboximidamide
SMILES[C-]#[N+]/N=C(\N)N1CCOCC1
InChIInChI=1S/C6H10N4O/c1-8-9-6(7)10-2-4-11-5-3-10/h2-5H2,(H2,7,9)
InChIKeyBNPXNHDYNVOUEJ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.53
Rot. Bonds

About N'-isocyanomorpholine-4-carboximidamide

N'-isocyanomorpholine-4-carboximidamide (PubChem CID 20631485) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N'-isocyanomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-isocyanomorpholine-4-carboximidamide
PubChem CID20631485
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN'-isocyanomorpholine-4-carboximidamide
SMILES[C-]#[N+]/N=C(\N)N1CCOCC1
InChIInChI=1S/C6H10N4O/c1-8-9-6(7)10-2-4-11-5-3-10/h2-5H2,(H2,7,9)
InChIKeyBNPXNHDYNVOUEJ-UHFFFAOYSA-N
XLogP-0.53
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-isocyanomorpholine-4-carboximidamide?
The IUPAC name of N'-isocyanomorpholine-4-carboximidamide (CID 20631485) is N'-isocyanomorpholine-4-carboximidamide.
What is the SMILES notation for N'-isocyanomorpholine-4-carboximidamide?
The canonical SMILES for N'-isocyanomorpholine-4-carboximidamide is [C-]#[N+]/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-isocyanomorpholine-4-carboximidamide?
The InChIKey is BNPXNHDYNVOUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-8-9-6(7)10-2-4-11-5-3-10/h2-5H2,(H2,7,9).
What are the key properties of N'-isocyanomorpholine-4-carboximidamide?
N'-isocyanomorpholine-4-carboximidamide has a molecular weight of 154.17 g/mol, XLogP of -0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-isocyanomorpholine-4-carboximidamide is sourced from PubChem (CID 20631485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).