N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

C11H23N3O2 — CID 86778352

IUPACN'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(COCCOC)C1
InChIInChI=1S/C11H23N3O2/c1-3-13-11(12)14-5-4-10(8-14)9-16-7-6-15-2/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyQVEHNTYBGIDPQB-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.31
Rot. Bonds6

About N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide

N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (PubChem CID 86778352) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
PubChem CID86778352
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide
SMILESCC/N=C(\N)N1CCC(COCCOC)C1
InChIInChI=1S/C11H23N3O2/c1-3-13-11(12)14-5-4-10(8-14)9-16-7-6-15-2/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyQVEHNTYBGIDPQB-UHFFFAOYSA-N
XLogP0.31
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.31
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'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide (CID 86778352) is N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is CC/N=C(\N)N1CCC(COCCOC)C1.
What is the InChIKey of N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
The InChIKey is QVEHNTYBGIDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-13-11(12)14-5-4-10(8-14)9-16-7-6-15-2/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide?
N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide has a molecular weight of 229.32 g/mol, XLogP of 0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-(2-methoxyethoxymethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 86778352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).