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

C15H23N3O — CID 102744103

IUPAC4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1
InChIInChI=1S/C15H23N3O/c1-14(2)9-18(10-15(3,4)19-14)12-7-5-11(6-8-12)13(16)17/h5-8H,9-10H2,1-4H3,(H3,16,17)
InChIKeyCQDWOJSBSIAHJN-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.36
Rot. Bonds2

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

4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 102744103) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID102744103
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1
InChIInChI=1S/C15H23N3O/c1-14(2)9-18(10-15(3,4)19-14)12-7-5-11(6-8-12)13(16)17/h5-8H,9-10H2,1-4H3,(H3,16,17)
InChIKeyCQDWOJSBSIAHJN-UHFFFAOYSA-N
XLogP2.36
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.36
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-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarbothioamide
CID 102743930
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
2-methyl-6-(2,2,6,6-tetramethylmorpholin-4-yl)pyridine-4-carboximidamide
CID 102744106
4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744111
4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465244
4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534085
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenecarboximidamide
CID 75486799
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
4-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenecarboximidamide
CID 107223259
4-[1-(4-tert-butylphenyl)-5-(4-carbamimidoylphenyl)pyrrolidin-2-yl]benzenecarboximidamide
CID 67236457

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide (CID 102744103) is 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1.
What is the InChIKey of 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is CQDWOJSBSIAHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-14(2)9-18(10-15(3,4)19-14)12-7-5-11(6-8-12)13(16)17/h5-8H,9-10H2,1-4H3,(H3,16,17).
What are the key properties of 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 261.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 102744103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).