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

C15H23N3O2 — CID 114777120

IUPAC2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H23N3O2/c1-15(2)10-18(8-12(9-19)20-15)7-11-5-3-4-6-13(11)14(16)17/h3-6,12,19H,7-10H2,1-2H3,(H3,16,17)
InChIKeyUQOVAYOAXXKNDA-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds4

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

2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide (PubChem CID 114777120) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
PubChem CID114777120
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1CN1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H23N3O2/c1-15(2)10-18(8-12(9-19)20-15)7-11-5-3-4-6-13(11)14(16)17/h3-6,12,19H,7-10H2,1-2H3,(H3,16,17)
InChIKeyUQOVAYOAXXKNDA-UHFFFAOYSA-N
XLogP0.94
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide?
The IUPAC name of 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide (CID 114777120) is 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1CN1CC(CO)OC(C)(C)C1.
What is the InChIKey of 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide?
The InChIKey is UQOVAYOAXXKNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2)10-18(8-12(9-19)20-15)7-11-5-3-4-6-13(11)14(16)17/h3-6,12,19H,7-10H2,1-2H3,(H3,16,17).
What are the key properties of 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide?
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 114777120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).