2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide

C19H30IN3O2 — CID 111963778

IUPAC2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc(OC)cc1OC1CCCC1)NC1CC1.I
InChIInChI=1S/C19H29N3O2.HI/c1-3-20-19(22-15-9-10-15)21-13-14-8-11-17(23-2)12-18(14)24-16-6-4-5-7-16;/h8,11-12,15-16H,3-7,9-10,13H2,1-2H3,(H2,20,21,22);1H
InChIKeyUUHABMCYMZVGAH-UHFFFAOYSA-N
MW459.37 g/mol
LogP3.85
Rot. Bonds7

About 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide

2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide (PubChem CID 111963778) has the molecular formula C19H30IN3O2 and a molecular weight of 459.37 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
PubChem CID111963778
Molecular FormulaC19H30IN3O2
Molecular Weight459.37 g/mol
Exact Mass459.14
IUPAC Name2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc(OC)cc1OC1CCCC1)NC1CC1.I
InChIInChI=1S/C19H29N3O2.HI/c1-3-20-19(22-15-9-10-15)21-13-14-8-11-17(23-2)12-18(14)24-16-6-4-5-7-16;/h8,11-12,15-16H,3-7,9-10,13H2,1-2H3,(H2,20,21,22);1H
InChIKeyUUHABMCYMZVGAH-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.37
LogP ≤ 53.85
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-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;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-cyclopentyl-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111790874
2-[(2-cyclobutyloxyphenyl)methyl]-1-cyclopentyl-3-ethylguanidine
CID 111791028
2-[(2-cyclopentyloxy-3-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 111564117
2-[(2,4-dimethoxyphenyl)methyl]-1-ethyl-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111317157
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989746
1-cyclopentyl-3-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methylguanidine
CID 111963781
1-cyclopentyl-3-ethyl-2-[(2,3,4-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110989872
1-cyclopropyl-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110988618
1-cyclopropyl-3-ethyl-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110988653
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111721864
2-[(5-bromo-2-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988569
1-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111963786

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide (CID 111963778) is 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1ccc(OC)cc1OC1CCCC1)NC1CC1.I.
What is the InChIKey of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
The InChIKey is UUHABMCYMZVGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.HI/c1-3-20-19(22-15-9-10-15)21-13-14-8-11-17(23-2)12-18(14)24-16-6-4-5-7-16;/h8,11-12,15-16H,3-7,9-10,13H2,1-2H3,(H2,20,21,22);1H.
What are the key properties of 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide?
2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide has a molecular weight of 459.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111963778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).