1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide

C20H30IN3O3 — CID 111560726

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide
SMILESCCC(CN/C(=N/C)NCCCOCc1ccco1)Oc1ccccc1.I
InChIInChI=1S/C20H29N3O3.HI/c1-3-17(26-18-9-5-4-6-10-18)15-23-20(21-2)22-12-8-13-24-16-19-11-7-14-25-19;/h4-7,9-11,14,17H,3,8,12-13,15-16H2,1-2H3,(H2,21,22,23);1H
InChIKeyGOKZLLVYNOEWAN-UHFFFAOYSA-N
MW487.38 g/mol
LogP3.83
Rot. Bonds11

About 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide

1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide (PubChem CID 111560726) has the molecular formula C20H30IN3O3 and a molecular weight of 487.38 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide
PubChem CID111560726
Molecular FormulaC20H30IN3O3
Molecular Weight487.38 g/mol
Exact Mass487.13
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide
SMILESCCC(CN/C(=N/C)NCCCOCc1ccco1)Oc1ccccc1.I
InChIInChI=1S/C20H29N3O3.HI/c1-3-17(26-18-9-5-4-6-10-18)15-23-20(21-2)22-12-8-13-24-16-19-11-7-14-25-19;/h4-7,9-11,14,17H,3,8,12-13,15-16H2,1-2H3,(H2,21,22,23);1H
InChIKeyGOKZLLVYNOEWAN-UHFFFAOYSA-N
XLogP3.83
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.38
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)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-[2-(dimethylamino)-2-phenylethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111399738
1-(3-methoxypropyl)-2-methyl-3-(2-phenoxybutyl)guanidine
CID 111560733
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110979106
1-[2-(3-fluorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111503621
1-[2-(2-chlorophenoxy)propyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111499771
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111399955
1-(cyclopropylmethyl)-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398996
1-[2-(benzenesulfinyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111787082
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-phenoxypropyl)guanidine
CID 111788796
1-[2-(benzenesulfonyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398556
1-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111400190
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704700

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide (CID 111560726) is 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide is CCC(CN/C(=N/C)NCCCOCc1ccco1)Oc1ccccc1.I.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide?
The InChIKey is GOKZLLVYNOEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.HI/c1-3-17(26-18-9-5-4-6-10-18)15-23-20(21-2)22-12-8-13-24-16-19-11-7-14-25-19;/h4-7,9-11,14,17H,3,8,12-13,15-16H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide?
1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide has a molecular weight of 487.38 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-2-methyl-3-(2-phenoxybutyl)guanidine;hydroiodide is sourced from PubChem (CID 111560726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).