N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide

C9H19N3O — CID 62362564

IUPACN'-ethyl-3,3-dimethylmorpholine-4-carboximidamide
SMILESCC/N=C(\N)N1CCOCC1(C)C
InChIInChI=1S/C9H19N3O/c1-4-11-8(10)12-5-6-13-7-9(12,2)3/h4-7H2,1-3H3,(H2,10,11)
InChIKeyVCMLUXXYRPMLGV-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds1

About N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide

N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide (PubChem CID 62362564) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3,3-dimethylmorpholine-4-carboximidamide
PubChem CID62362564
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN'-ethyl-3,3-dimethylmorpholine-4-carboximidamide
SMILESCC/N=C(\N)N1CCOCC1(C)C
InChIInChI=1S/C9H19N3O/c1-4-11-8(10)12-5-6-13-7-9(12,2)3/h4-7H2,1-3H3,(H2,10,11)
InChIKeyVCMLUXXYRPMLGV-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
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'-ethyl-3,3-dimethylmorpholine-4-carboximidamide?
The IUPAC name of N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide (CID 62362564) is N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide?
The canonical SMILES for N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide is CC/N=C(\N)N1CCOCC1(C)C.
What is the InChIKey of N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide?
The InChIKey is VCMLUXXYRPMLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-4-11-8(10)12-5-6-13-7-9(12,2)3/h4-7H2,1-3H3,(H2,10,11).
What are the key properties of N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide?
N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide has a molecular weight of 185.27 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3,3-dimethylmorpholine-4-carboximidamide is sourced from PubChem (CID 62362564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).