N'-(2-ethoxyethyl)morpholine-4-carboximidamide

C9H19N3O2 — CID 111045506

IUPACN'-(2-ethoxyethyl)morpholine-4-carboximidamide
SMILESCCOCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H19N3O2/c1-2-13-6-3-11-9(10)12-4-7-14-8-5-12/h2-8H2,1H3,(H2,10,11)
InChIKeyAAQZXOZCOXAHCY-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.33
Rot. Bonds4

About N'-(2-ethoxyethyl)morpholine-4-carboximidamide

N'-(2-ethoxyethyl)morpholine-4-carboximidamide (PubChem CID 111045506) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)morpholine-4-carboximidamide
PubChem CID111045506
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-(2-ethoxyethyl)morpholine-4-carboximidamide
SMILESCCOCC/N=C(\N)N1CCOCC1
InChIInChI=1S/C9H19N3O2/c1-2-13-6-3-11-9(10)12-4-7-14-8-5-12/h2-8H2,1H3,(H2,10,11)
InChIKeyAAQZXOZCOXAHCY-UHFFFAOYSA-N
XLogP-0.33
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-(2-ethoxyethyl)morpholine-4-carboximidamide?
The IUPAC name of N'-(2-ethoxyethyl)morpholine-4-carboximidamide (CID 111045506) is N'-(2-ethoxyethyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-(2-ethoxyethyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-(2-ethoxyethyl)morpholine-4-carboximidamide is CCOCC/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-(2-ethoxyethyl)morpholine-4-carboximidamide?
The InChIKey is AAQZXOZCOXAHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-13-6-3-11-9(10)12-4-7-14-8-5-12/h2-8H2,1H3,(H2,10,11).
What are the key properties of N'-(2-ethoxyethyl)morpholine-4-carboximidamide?
N'-(2-ethoxyethyl)morpholine-4-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of -0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)morpholine-4-carboximidamide is sourced from PubChem (CID 111045506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).