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

C14H21N3O — CID 62309167

IUPAC2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCOC(C)(C)C1
InChIInChI=1S/C14H21N3O/c1-10-4-5-11(13(15)16)12(8-10)17-6-7-18-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H3,15,16)
InChIKeyCGBUCLDSTWLRLV-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.89
Rot. Bonds2

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

2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide (PubChem CID 62309167) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide
PubChem CID62309167
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1N1CCOC(C)(C)C1
InChIInChI=1S/C14H21N3O/c1-10-4-5-11(13(15)16)12(8-10)17-6-7-18-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H3,15,16)
InChIKeyCGBUCLDSTWLRLV-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide (CID 62309167) is 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1N1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide?
The InChIKey is CGBUCLDSTWLRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-4-5-11(13(15)16)12(8-10)17-6-7-18-14(2,3)9-17/h4-5,8H,6-7,9H2,1-3H3,(H3,15,16).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide?
2-(2,2-dimethylmorpholin-4-yl)-4-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-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62309167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).