1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide

C16H24IN3O — CID 119147599

IUPAC1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccc2c(c1)CCO2)NC1CCCC1
InChIInChI=1S/C16H23N3O.HI/c17-16(19-14-3-1-2-4-14)18-9-7-12-5-6-15-13(11-12)8-10-20-15;/h5-6,11,14H,1-4,7-10H2,(H3,17,18,19);1H
InChIKeyWXBQTALLOAMUJK-UHFFFAOYSA-N
MW401.29 g/mol
LogP2.63
Rot. Bonds4

About 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide

1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide (PubChem CID 119147599) has the molecular formula C16H24IN3O and a molecular weight of 401.29 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
PubChem CID119147599
Molecular FormulaC16H24IN3O
Molecular Weight401.29 g/mol
Exact Mass401.10
IUPAC Name1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
SMILESI.N/C(=N\CCc1ccc2c(c1)CCO2)NC1CCCC1
InChIInChI=1S/C16H23N3O.HI/c17-16(19-14-3-1-2-4-14)18-9-7-12-5-6-15-13(11-12)8-10-20-15;/h5-6,11,14H,1-4,7-10H2,(H3,17,18,19);1H
InChIKeyWXBQTALLOAMUJK-UHFFFAOYSA-N
XLogP2.63
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 52.63
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;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-2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]guanidine
CID 62364271
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-ethylphenyl)guanidine;hydroiodide
CID 111811277
1-cyclopentyl-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111826609
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethyl-1,1-dimethylguanidine
CID 75423793
N-cyclopentyl-2-(3,4-dihydro-2H-chromen-6-yl)acetamide
CID 110771100
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
N-cyclohexyl-3-[[[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-(ethylamino)methylidene]amino]propanamide
CID 111563934
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine
CID 111811276
1-cyclohexyl-2-(2,3-dihydro-1H-inden-5-ylmethyl)guanidine;hydroiodide
CID 111071207
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]oxan-3-amine
CID 65447112

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide (CID 119147599) is 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide is I.N/C(=N\CCc1ccc2c(c1)CCO2)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide?
The InChIKey is WXBQTALLOAMUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.HI/c17-16(19-14-3-1-2-4-14)18-9-7-12-5-6-15-13(11-12)8-10-20-15;/h5-6,11,14H,1-4,7-10H2,(H3,17,18,19);1H.
What are the key properties of 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide?
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide has a molecular weight of 401.29 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 119147599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).