2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide

C21H36IN5 — CID 111918994

IUPAC2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCCNc1ccccc1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C21H35N5.HI/c1-2-22-21(24-15-8-14-23-18-9-4-3-5-10-18)25-19-13-16-26(17-19)20-11-6-7-12-20;/h3-5,9-10,19-20,23H,2,6-8,11-17H2,1H3,(H2,22,24,25);1H
InChIKeyIOGCKEKPGOQKNF-UHFFFAOYSA-N
MW485.46 g/mol
LogP3.68
Rot. Bonds8

About 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide

2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide (PubChem CID 111918994) has the molecular formula C21H36IN5 and a molecular weight of 485.46 g/mol. Its IUPAC name is 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
PubChem CID111918994
Molecular FormulaC21H36IN5
Molecular Weight485.46 g/mol
Exact Mass485.20
IUPAC Name2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CCCNc1ccccc1)NC1CCN(C2CCCC2)C1.I
InChIInChI=1S/C21H35N5.HI/c1-2-22-21(24-15-8-14-23-18-9-4-3-5-10-18)25-19-13-16-26(17-19)20-11-6-7-12-20;/h3-5,9-10,19-20,23H,2,6-8,11-17H2,1H3,(H2,22,24,25);1H
InChIKeyIOGCKEKPGOQKNF-UHFFFAOYSA-N
XLogP3.68
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111918453
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111918812
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111993818
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111919328
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111919980
1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111920170
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111993943
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[2-(methanesulfonamido)phenyl]methyl]guanidine;hydroiodide
CID 111918790
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111918736
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methoxyethyl)guanidine
CID 111919981
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111920186
N-[2-[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-2,2-dimethylpropanamide
CID 111918757

Frequently Asked Questions

What is the IUPAC name of 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide (CID 111918994) is 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CCCNc1ccccc1)NC1CCN(C2CCCC2)C1.I.
What is the InChIKey of 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide?
The InChIKey is IOGCKEKPGOQKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5.HI/c1-2-22-21(24-15-8-14-23-18-9-4-3-5-10-18)25-19-13-16-26(17-19)20-11-6-7-12-20;/h3-5,9-10,19-20,23H,2,6-8,11-17H2,1H3,(H2,22,24,25);1H.
What are the key properties of 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide?
2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide has a molecular weight of 485.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111918994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).