2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine

C19H30N4 — CID 111918453

IUPAC2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccccc1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H30N4/c1-2-20-19(21-14-16-8-4-3-5-9-16)22-17-12-13-23(15-17)18-10-6-7-11-18/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H2,20,21,22)
InChIKeyHAZBPDOWPAGFCN-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.76
Rot. Bonds5

About 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine

2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine (PubChem CID 111918453) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine.

Molecular Properties

Compound Name2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
PubChem CID111918453
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
SMILESCCN/C(=N\Cc1ccccc1)NC1CCN(C2CCCC2)C1
InChIInChI=1S/C19H30N4/c1-2-20-19(21-14-16-8-4-3-5-9-16)22-17-12-13-23(15-17)18-10-6-7-11-18/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H2,20,21,22)
InChIKeyHAZBPDOWPAGFCN-UHFFFAOYSA-N
XLogP2.76
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.76
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 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine 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-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(4-methylphenyl)methyl]guanidine
CID 111918747
2-[(4-cyanophenyl)methyl]-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine
CID 111919943
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[[4-(propan-2-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111918998
methyl 4-[[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]methyl]benzoate;hydroiodide
CID 111918726
3-[[[[(1-cyclopentylpyrrolidin-3-yl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111919954
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(3-fluoro-4-methylphenyl)methyl]guanidine
CID 111919787
1-(1-cyclopentylpiperidin-4-yl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111984266
1-(1-cyclopentylpyrrolidin-3-yl)-2-[[2-(ethoxymethyl)phenyl]methyl]-3-ethylguanidine;hydroiodide
CID 111920170
2-(3-anilinopropyl)-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine;hydroiodide
CID 111918994
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111919035
1-(1-cyclopentylpyrrolidin-3-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-ethylguanidine
CID 111919963
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111919723

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine?
The IUPAC name of 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine (CID 111918453) is 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine.
What is the SMILES notation for 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine?
The canonical SMILES for 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine is CCN/C(=N\Cc1ccccc1)NC1CCN(C2CCCC2)C1.
What is the InChIKey of 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine?
The InChIKey is HAZBPDOWPAGFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-2-20-19(21-14-16-8-4-3-5-9-16)22-17-12-13-23(15-17)18-10-6-7-11-18/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3,(H2,20,21,22).
What are the key properties of 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine?
2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine has a molecular weight of 314.48 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(1-cyclopentylpyrrolidin-3-yl)-3-ethylguanidine is sourced from PubChem (CID 111918453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).