4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide

C14H21N3O — CID 54933167

IUPAC4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C14H21N3O/c1-9-6-12(14(15)16)4-5-13(9)17-7-10(2)18-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3,(H3,15,16)
InChIKeySBKVNSPEQLFUCT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds2

About 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide

4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide (PubChem CID 54933167) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
PubChem CID54933167
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)c(C)c1
InChIInChI=1S/C14H21N3O/c1-9-6-12(14(15)16)4-5-13(9)17-7-10(2)18-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3,(H3,15,16)
InChIKeySBKVNSPEQLFUCT-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

4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
CID 62123919
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 24700962
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66391530
4-[(2,6-dimethyloxan-4-yl)oxymethyl]-3-methylbenzenecarboximidamide
CID 114483832
3-chloro-4-(3,4-dihydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 106669767
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
CID 104958905
4-(3-cyclopropylpyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 62488655

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide (CID 54933167) is 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)c(C)c1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide?
The InChIKey is SBKVNSPEQLFUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-6-12(14(15)16)4-5-13(9)17-7-10(2)18-11(3)8-17/h4-6,10-11H,7-8H2,1-3H3,(H3,15,16).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide?
4-(2,6-dimethylmorpholin-4-yl)-3-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 4-(2,6-dimethylmorpholin-4-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 54933167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).