2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide

C14H21N3O — CID 107930337

IUPAC2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CC(C)OCC1C
InChIInChI=1S/C14H21N3O/c1-9-4-5-13(12(6-9)14(15)16)17-7-11(3)18-8-10(17)2/h4-6,10-11H,7-8H2,1-3H3,(H3,15,16)
InChIKeyNVXIHPYKNGEXAG-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds2

About 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide

2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide (PubChem CID 107930337) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
PubChem CID107930337
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CC(C)OCC1C
InChIInChI=1S/C14H21N3O/c1-9-4-5-13(12(6-9)14(15)16)17-7-11(3)18-8-10(17)2/h4-6,10-11H,7-8H2,1-3H3,(H3,15,16)
InChIKeyNVXIHPYKNGEXAG-UHFFFAOYSA-N
XLogP1.89
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.89
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'}

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-5-methylbenzenecarboximidamide
CID 107930580
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzoic acid
CID 62514825
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 107930291
5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81202711
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700
2-(2,5-dimethylmorpholin-4-yl)benzenecarbothioamide
CID 43544898
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-methylbenzenecarboximidamide
CID 107930441
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
5-methyl-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 107930407
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide (CID 107930337) is 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CC(C)OCC1C.
What is the InChIKey of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide?
The InChIKey is NVXIHPYKNGEXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-4-5-13(12(6-9)14(15)16)17-7-11(3)18-8-10(17)2/h4-6,10-11H,7-8H2,1-3H3,(H3,15,16).
What are the key properties of 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide?
2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).