N'-(4-methylphenyl)morpholine-4-carboximidamide

C12H17N3O — CID 10584965

IUPACN'-(4-methylphenyl)morpholine-4-carboximidamide
SMILESCc1ccc(/N=C(\N)N2CCOCC2)cc1
InChIInChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)14-12(13)15-6-8-16-9-7-15/h2-5H,6-9H2,1H3,(H2,13,14)
InChIKeyAXDXYTFJTGUPLH-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.27
Rot. Bonds1

About N'-(4-methylphenyl)morpholine-4-carboximidamide

N'-(4-methylphenyl)morpholine-4-carboximidamide (PubChem CID 10584965) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N'-(4-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(4-methylphenyl)morpholine-4-carboximidamide
PubChem CID10584965
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN'-(4-methylphenyl)morpholine-4-carboximidamide
SMILESCc1ccc(/N=C(\N)N2CCOCC2)cc1
InChIInChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)14-12(13)15-6-8-16-9-7-15/h2-5H,6-9H2,1H3,(H2,13,14)
InChIKeyAXDXYTFJTGUPLH-UHFFFAOYSA-N
XLogP1.27
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(4-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(4-methylphenyl)morpholine-4-carboximidamide (CID 10584965) is N'-(4-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(4-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(4-methylphenyl)morpholine-4-carboximidamide is Cc1ccc(/N=C(\N)N2CCOCC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is AXDXYTFJTGUPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-2-4-11(5-3-10)14-12(13)15-6-8-16-9-7-15/h2-5H,6-9H2,1H3,(H2,13,14).
What are the key properties of N'-(4-methylphenyl)morpholine-4-carboximidamide?
N'-(4-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 219.29 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 10584965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).