2-morpholin-4-ylethanimidamide

C6H13N3O — CID 14547438

IUPAC2-morpholin-4-ylethanimidamide
SMILES[H]/N=C(\N)CN1CCOCC1
InChIInChI=1S/C6H13N3O/c7-6(8)5-9-1-3-10-4-2-9/h1-5H2,(H3,7,8)
InChIKeyZOGISVNCCRKCKA-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.75
Rot. Bonds2

About 2-morpholin-4-ylethanimidamide

2-morpholin-4-ylethanimidamide (PubChem CID 14547438) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-morpholin-4-ylethanimidamide.

Molecular Properties

Compound Name2-morpholin-4-ylethanimidamide
PubChem CID14547438
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2-morpholin-4-ylethanimidamide
SMILES[H]/N=C(\N)CN1CCOCC1
InChIInChI=1S/C6H13N3O/c7-6(8)5-9-1-3-10-4-2-9/h1-5H2,(H3,7,8)
InChIKeyZOGISVNCCRKCKA-UHFFFAOYSA-N
XLogP-0.75
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.75
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-morpholin-4-ylethanimidamide?
The IUPAC name of 2-morpholin-4-ylethanimidamide (CID 14547438) is 2-morpholin-4-ylethanimidamide.
What is the SMILES notation for 2-morpholin-4-ylethanimidamide?
The canonical SMILES for 2-morpholin-4-ylethanimidamide is [H]/N=C(\N)CN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethanimidamide?
The InChIKey is ZOGISVNCCRKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c7-6(8)5-9-1-3-10-4-2-9/h1-5H2,(H3,7,8).
What are the key properties of 2-morpholin-4-ylethanimidamide?
2-morpholin-4-ylethanimidamide has a molecular weight of 143.19 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethanimidamide is sourced from PubChem (CID 14547438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).