2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide

C17H29IN4O — CID 111227974

IUPAC2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N/Cc1cccnc1OC1CCCC1)NCC.I
InChIInChI=1S/C17H28N4O.HI/c1-3-11-20-17(18-4-2)21-13-14-8-7-12-19-16(14)22-15-9-5-6-10-15;/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H2,18,20,21);1H
InChIKeyGQQNGMWOCYNBRV-UHFFFAOYSA-N
MW432.35 g/mol
LogP3.49
Rot. Bonds7

About 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide

2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide (PubChem CID 111227974) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
PubChem CID111227974
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC Name2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
SMILESCCCN/C(=N/Cc1cccnc1OC1CCCC1)NCC.I
InChIInChI=1S/C17H28N4O.HI/c1-3-11-20-17(18-4-2)21-13-14-8-7-12-19-16(14)22-15-9-5-6-10-15;/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H2,18,20,21);1H
InChIKeyGQQNGMWOCYNBRV-UHFFFAOYSA-N
XLogP3.49
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide 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-butyl-2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 111150253
N-[2-[[N'-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111926936
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111575304
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111397900
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-propylguanidine
CID 111625952
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111397901
1-(2-cycloheptyloxyethyl)-3-ethyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]guanidine
CID 111575525
2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]guanidine
CID 111656128
1-(cyclopropylmethyl)-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111870756
1-butyl-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111151098
1-butyl-2-[(2-cyclobutyloxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111625927
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110939813

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide?
The IUPAC name of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide (CID 111227974) is 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide is CCCN/C(=N/Cc1cccnc1OC1CCCC1)NCC.I.
What is the InChIKey of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide?
The InChIKey is GQQNGMWOCYNBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-3-11-20-17(18-4-2)21-13-14-8-7-12-19-16(14)22-15-9-5-6-10-15;/h7-8,12,15H,3-6,9-11,13H2,1-2H3,(H2,18,20,21);1H.
What are the key properties of 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide?
2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide is sourced from PubChem (CID 111227974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).