1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

C11H24N4 — CID 62991694

IUPAC1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(N)=N/CC(C)CN1CCCC1
InChIInChI=1S/C11H24N4/c1-3-13-11(12)14-8-10(2)9-15-6-4-5-7-15/h10H,3-9H2,1-2H3,(H3,12,13,14)
InChIKeyZEHMQRJGVWJCNW-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.64
Rot. Bonds5

About 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine

1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 62991694) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID62991694
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Name1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(N)=N/CC(C)CN1CCCC1
InChIInChI=1S/C11H24N4/c1-3-13-11(12)14-8-10(2)9-15-6-4-5-7-15/h10H,3-9H2,1-2H3,(H3,12,13,14)
InChIKeyZEHMQRJGVWJCNW-UHFFFAOYSA-N
XLogP0.64
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-methylbutyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070218
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111002635
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
CID 111070313
1-(4-ethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070246
1-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417084
1-(diaminomethylidene)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 83035522
1-(3,5-dimethylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070226
1-(4-butan-2-ylphenyl)-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine
CID 111070216
1-ethyl-2-(2-methyl-3-piperidin-1-ylpropyl)-3-(2-methylsulfanylethyl)guanidine
CID 111346065
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-octylguanidine;hydroiodide
CID 111070427
2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110927369
1-ethyl-2-(2-piperidin-1-ylethyl)guanidine
CID 62363121

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine (CID 62991694) is 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is CCN/C(N)=N/CC(C)CN1CCCC1.
What is the InChIKey of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is ZEHMQRJGVWJCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4/c1-3-13-11(12)14-8-10(2)9-15-6-4-5-7-15/h10H,3-9H2,1-2H3,(H3,12,13,14).
What are the key properties of 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine?
1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 212.34 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 62991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).