N-amino-N',2-diethylpyrrolidine-1-carboximidamide

C9H20N4 — CID 104882670

IUPACN-amino-N',2-diethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCC1CC
InChIInChI=1S/C9H20N4/c1-3-8-6-5-7-13(8)9(12-10)11-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyHHJVEMBMYHDYAO-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.70
Rot. Bonds2

About N-amino-N',2-diethylpyrrolidine-1-carboximidamide

N-amino-N',2-diethylpyrrolidine-1-carboximidamide (PubChem CID 104882670) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N-amino-N',2-diethylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N',2-diethylpyrrolidine-1-carboximidamide
PubChem CID104882670
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN-amino-N',2-diethylpyrrolidine-1-carboximidamide
SMILESCC/N=C(\NN)N1CCCC1CC
InChIInChI=1S/C9H20N4/c1-3-8-6-5-7-13(8)9(12-10)11-4-2/h8H,3-7,10H2,1-2H3,(H,11,12)
InChIKeyHHJVEMBMYHDYAO-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N',2-diethylpyrrolidine-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 N-amino-N',2-diethylpyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N',2-diethylpyrrolidine-1-carboximidamide (CID 104882670) is N-amino-N',2-diethylpyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N',2-diethylpyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N',2-diethylpyrrolidine-1-carboximidamide is CC/N=C(\NN)N1CCCC1CC.
What is the InChIKey of N-amino-N',2-diethylpyrrolidine-1-carboximidamide?
The InChIKey is HHJVEMBMYHDYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-8-6-5-7-13(8)9(12-10)11-4-2/h8H,3-7,10H2,1-2H3,(H,11,12).
What are the key properties of N-amino-N',2-diethylpyrrolidine-1-carboximidamide?
N-amino-N',2-diethylpyrrolidine-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',2-diethylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 104882670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).