2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide

C13H19N3O — CID 43199936

IUPAC2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N1CC(C)OC(C)C1
InChIInChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-6-4-3-5-11(12)13(14)15/h3-6,9-10H,7-8H2,1-2H3,(H3,14,15)
InChIKeySSPZEPIHFIUFBS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.58
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide

2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 43199936) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID43199936
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1N1CC(C)OC(C)C1
InChIInChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-6-4-3-5-11(12)13(14)15/h3-6,9-10H,7-8H2,1-2H3,(H3,14,15)
InChIKeySSPZEPIHFIUFBS-UHFFFAOYSA-N
XLogP1.58
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 68507649
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
CID 54933167
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]quinoline-3-carboximidamide
CID 104958895
2-(2,6-dimethylmorpholin-4-yl)quinoline-4-carboximidamide
CID 63883747
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 104958903
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 55153583
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
2-(azocan-1-yl)benzenecarboximidamide
CID 28801457

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide (CID 43199936) is 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccccc1N1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is SSPZEPIHFIUFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-16(8-10(2)17-9)12-6-4-3-5-11(12)13(14)15/h3-6,9-10H,7-8H2,1-2H3,(H3,14,15).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 43199936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).