N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

C11H22N4O — CID 63175307

IUPACN'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C11H22N4O/c1-2-13-11(12)15-4-3-10(9-15)14-5-7-16-8-6-14/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyASTVGIBORYTXKP-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.27
Rot. Bonds2

About N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide

N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (PubChem CID 63175307) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
PubChem CID63175307
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C11H22N4O/c1-2-13-11(12)15-4-3-10(9-15)14-5-7-16-8-6-14/h10H,2-9H2,1H3,(H2,12,13)
InChIKeyASTVGIBORYTXKP-UHFFFAOYSA-N
XLogP-0.27
TPSA54.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
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 N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide (CID 63175307) is N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is CC/N=C(\N)N1CCC(N2CCOCC2)C1.
What is the InChIKey of N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
The InChIKey is ASTVGIBORYTXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-2-13-11(12)15-4-3-10(9-15)14-5-7-16-8-6-14/h10H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide?
N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide has a molecular weight of 226.32 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 63175307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).