4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide

C14H21N3O — CID 24700962

IUPAC4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H21N3O/c1-10-7-17(8-11(2)18-10)9-12-3-5-13(6-4-12)14(15)16/h3-6,10-11H,7-9H2,1-2H3,(H3,15,16)
InChIKeyFMCOVORRICXVPT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.58
Rot. Bonds3

About 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide

4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide (PubChem CID 24700962) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
PubChem CID24700962
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C14H21N3O/c1-10-7-17(8-11(2)18-10)9-12-3-5-13(6-4-12)14(15)16/h3-6,10-11H,7-9H2,1-2H3,(H3,15,16)
InChIKeyFMCOVORRICXVPT-UHFFFAOYSA-N
XLogP1.58
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.58
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)methyl]benzenecarbothioamide
CID 24703494
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
4-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]benzenecarboximidamide
CID 61299819
4-[(4-ethylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 61420812
4-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzenecarboximidamide
CID 112625797
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 103496375
4-[[4-(dimethylamino)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43586087
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 43246163
2-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethanamine
CID 104959118
4-[(3-hydroxypiperidin-1-yl)methyl]benzenecarboximidamide
CID 61434714
4-[(3-phenylpyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 62133576

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide?
The IUPAC name of 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide (CID 24700962) is 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide.
What is the SMILES notation for 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide?
The canonical SMILES for 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide?
The InChIKey is FMCOVORRICXVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-7-17(8-11(2)18-10)9-12-3-5-13(6-4-12)14(15)16/h3-6,10-11H,7-9H2,1-2H3,(H3,15,16).
What are the key properties of 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide?
4-[(2,6-dimethylmorpholin-4-yl)methyl]benzenecarboximidamide has a molecular weight of 247.34 g/mol, XLogP of 1.58, 3 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)methyl]benzenecarboximidamide is sourced from PubChem (CID 24700962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).