N'-hydroxy-2-morpholin-4-ylethanimidamide

C6H13N3O2 — CID 22733240

IUPACN'-hydroxy-2-morpholin-4-ylethanimidamide
SMILESN/C(CN1CCOCC1)=N/O
InChIInChI=1S/C6H13N3O2/c7-6(8-10)5-9-1-3-11-4-2-9/h10H,1-5H2,(H2,7,8)
InChIKeyFOJBQTQQONWJDQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.94
Rot. Bonds2

About N'-hydroxy-2-morpholin-4-ylethanimidamide

N'-hydroxy-2-morpholin-4-ylethanimidamide (PubChem CID 22733240) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N'-hydroxy-2-morpholin-4-ylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-morpholin-4-ylethanimidamide
PubChem CID22733240
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN'-hydroxy-2-morpholin-4-ylethanimidamide
SMILESN/C(CN1CCOCC1)=N/O
InChIInChI=1S/C6H13N3O2/c7-6(8-10)5-9-1-3-11-4-2-9/h10H,1-5H2,(H2,7,8)
InChIKeyFOJBQTQQONWJDQ-UHFFFAOYSA-N
XLogP-0.94
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-morpholin-4-ylethanimidamide?
The IUPAC name of N'-hydroxy-2-morpholin-4-ylethanimidamide (CID 22733240) is N'-hydroxy-2-morpholin-4-ylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-morpholin-4-ylethanimidamide?
The canonical SMILES for N'-hydroxy-2-morpholin-4-ylethanimidamide is N/C(CN1CCOCC1)=N/O.
What is the InChIKey of N'-hydroxy-2-morpholin-4-ylethanimidamide?
The InChIKey is FOJBQTQQONWJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(8-10)5-9-1-3-11-4-2-9/h10H,1-5H2,(H2,7,8).
What are the key properties of N'-hydroxy-2-morpholin-4-ylethanimidamide?
N'-hydroxy-2-morpholin-4-ylethanimidamide has a molecular weight of 159.19 g/mol, XLogP of -0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-morpholin-4-ylethanimidamide is sourced from PubChem (CID 22733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).