2-ethyl-N'-methylpyrrolidine-1-carboximidamide

C8H17N3 — CID 62358410

IUPAC2-ethyl-N'-methylpyrrolidine-1-carboximidamide
SMILESCCC1CCCN1/C(N)=N/C
InChIInChI=1S/C8H17N3/c1-3-7-5-4-6-11(7)8(9)10-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyQHBXLVGYRCYEGT-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.81
Rot. Bonds1

About 2-ethyl-N'-methylpyrrolidine-1-carboximidamide

2-ethyl-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 62358410) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 2-ethyl-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N'-methylpyrrolidine-1-carboximidamide
PubChem CID62358410
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name2-ethyl-N'-methylpyrrolidine-1-carboximidamide
SMILESCCC1CCCN1/C(N)=N/C
InChIInChI=1S/C8H17N3/c1-3-7-5-4-6-11(7)8(9)10-2/h7H,3-6H2,1-2H3,(H2,9,10)
InChIKeyQHBXLVGYRCYEGT-UHFFFAOYSA-N
XLogP0.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethyl-N'-methylpyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of 2-ethyl-N'-methylpyrrolidine-1-carboximidamide (CID 62358410) is 2-ethyl-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for 2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for 2-ethyl-N'-methylpyrrolidine-1-carboximidamide is CCC1CCCN1/C(N)=N/C.
What is the InChIKey of 2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is QHBXLVGYRCYEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-7-5-4-6-11(7)8(9)10-2/h7H,3-6H2,1-2H3,(H2,9,10).
What are the key properties of 2-ethyl-N'-methylpyrrolidine-1-carboximidamide?
2-ethyl-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 155.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 62358410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).