N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

C11H19IN4O — CID 119146669

IUPACN'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCn1cccc1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C11H18N4O.HI/c1-14-4-2-3-10(14)9-13-11(12)15-5-7-16-8-6-15;/h2-4H,5-9H2,1H3,(H2,12,13);1H
InChIKeyXUJNCMXWCSKAOW-UHFFFAOYSA-N
MW350.20 g/mol
LogP0.79
Rot. Bonds2

About N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide

N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (PubChem CID 119146669) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
PubChem CID119146669
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC NameN'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
SMILESCn1cccc1C/N=C(\N)N1CCOCC1.I
InChIInChI=1S/C11H18N4O.HI/c1-14-4-2-3-10(14)9-13-11(12)15-5-7-16-8-6-15;/h2-4H,5-9H2,1H3,(H2,12,13);1H
InChIKeyXUJNCMXWCSKAOW-UHFFFAOYSA-N
XLogP0.79
TPSA55.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N'-[(1-methylpyrrol-2-yl)methyl]piperidine-1-carboximidamide
CID 119146676
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510
N'-[(4-tert-butylphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111045453
N'-[(5-phenylfuran-2-yl)methyl]morpholine-4-carboximidamide
CID 119119031
N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 111031625
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
N'-[(2,3-dimethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 75534630
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[[4-(diethylaminomethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111036077

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide (CID 119146669) is N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is Cn1cccc1C/N=C(\N)N1CCOCC1.I.
What is the InChIKey of N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
The InChIKey is XUJNCMXWCSKAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.HI/c1-14-4-2-3-10(14)9-13-11(12)15-5-7-16-8-6-15;/h2-4H,5-9H2,1H3,(H2,12,13);1H.
What are the key properties of N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide?
N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide has a molecular weight of 350.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 119146669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).