5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide

C13H19N3O — CID 107930291

IUPAC5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCOC(C)C1
InChIInChI=1S/C13H19N3O/c1-9-3-4-12(11(7-9)13(14)15)16-5-6-17-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H3,14,15)
InChIKeyDYFGFGNHSMQVSA-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.50
Rot. Bonds2

About 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide

5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 107930291) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
PubChem CID107930291
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1N1CCOC(C)C1
InChIInChI=1S/C13H19N3O/c1-9-3-4-12(11(7-9)13(14)15)16-5-6-17-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H3,14,15)
InChIKeyDYFGFGNHSMQVSA-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
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-(2,5-dimethylmorpholin-4-yl)-5-methylbenzenecarboximidamide
CID 107930337
2-(3,4-dihydroxypyrrolidin-1-yl)-5-methylbenzenecarboximidamide
CID 107930636
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
2-(3-hydroxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017272
5-methyl-2-piperidin-1-ylbenzenecarboximidamide
CID 107930307
2-[2-(hydroxymethyl)morpholin-4-yl]-4-methylbenzenecarboximidamide
CID 81202892
2-(3-methoxypiperidin-1-yl)-5-methylbenzenecarboximidamide
CID 114017311
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-methylbenzenecarboximidamide
CID 107930498
5-methyl-2-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 107930632
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-5-methylbenzenecarboximidamide
CID 107930441
5-methyl-2-(1-oxo-1,4-thiazinan-4-yl)benzenecarboximidamide
CID 107930407
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide (CID 107930291) is 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1N1CCOC(C)C1.
What is the InChIKey of 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is DYFGFGNHSMQVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-4-12(11(7-9)13(14)15)16-5-6-17-10(2)8-16/h3-4,7,10H,5-6,8H2,1-2H3,(H3,14,15).
What are the key properties of 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide?
5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 107930291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).