1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine

C19H38N4O2 — CID 111919315

IUPAC1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine
SMILESCCN/C(=N\CCCCOCCOC)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H38N4O2/c1-3-20-19(21-11-6-7-13-25-15-14-24-2)22-17-10-12-23(16-17)18-8-4-5-9-18/h17-18H,3-16H2,1-2H3,(H2,20,21,22)
InChIKeyPMCDUNUTYHKETN-UHFFFAOYSA-N
MW354.54 g/mol
LogP2.00
Rot. Bonds11

About 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine (PubChem CID 111919315) has the molecular formula C19H38N4O2 and a molecular weight of 354.54 g/mol. Its IUPAC name is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine.

Molecular Properties

Compound Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine
PubChem CID111919315
Molecular FormulaC19H38N4O2
Molecular Weight354.54 g/mol
Exact Mass354.30
IUPAC Name1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine
SMILESCCN/C(=N\CCCCOCCOC)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H38N4O2/c1-3-20-19(21-11-6-7-13-25-15-14-24-2)22-17-10-12-23(16-17)18-8-4-5-9-18/h17-18H,3-16H2,1-2H3,(H2,20,21,22)
InChIKeyPMCDUNUTYHKETN-UHFFFAOYSA-N
XLogP2.00
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111919981
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111919980
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110989253
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111919520
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111919567
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111919573
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111919018
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
N-[2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111918757
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111920186
tert-butyl 3-[[N-ethyl-N'-[4-(2-methoxyethoxy)butyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109465432
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
CID 111962055

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine?
The IUPAC name of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine (CID 111919315) is 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine.
What is the SMILES notation for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine?
The canonical SMILES for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine is CCN/C(=N\CCCCOCCOC)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine?
The InChIKey is PMCDUNUTYHKETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O2/c1-3-20-19(21-11-6-7-13-25-15-14-24-2)22-17-10-12-23(16-17)18-8-4-5-9-18/h17-18H,3-16H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine?
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine has a molecular weight of 354.54 g/mol, XLogP of 2.00, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine is sourced from PubChem (CID 111919315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).