1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

C18H33IN4O3 — CID 110975840

IUPAC1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCOCCC/N=C(/NCCCN1CCOCC1)NCCc1ccco1.I
InChIInChI=1S/C18H32N4O3.HI/c1-23-13-4-8-20-18(21-9-6-17-5-2-14-25-17)19-7-3-10-22-11-15-24-16-12-22;/h2,5,14H,3-4,6-13,15-16H2,1H3,(H2,19,20,21);1H
InChIKeyMSYAQGWBXGUDEW-UHFFFAOYSA-N
MW480.39 g/mol
LogP1.73
Rot. Bonds11

About 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 110975840) has the molecular formula C18H33IN4O3 and a molecular weight of 480.39 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID110975840
Molecular FormulaC18H33IN4O3
Molecular Weight480.39 g/mol
Exact Mass480.16
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCOCCC/N=C(/NCCCN1CCOCC1)NCCc1ccco1.I
InChIInChI=1S/C18H32N4O3.HI/c1-23-13-4-8-20-18(21-9-6-17-5-2-14-25-17)19-7-3-10-22-11-15-24-16-12-22;/h2,5,14H,3-4,6-13,15-16H2,1H3,(H2,19,20,21);1H
InChIKeyMSYAQGWBXGUDEW-UHFFFAOYSA-N
XLogP1.73
TPSA71.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110938477
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
CID 110051819
2-(3-cyclohexyloxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111777431
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111355359
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[3-(2-oxoazepan-1-yl)propyl]guanidine;hydroiodide
CID 111348543
1-[2-(3-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111355227
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-piperidin-1-ylethyl)guanidine
CID 111751316
1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclopropyl)-2-(3-morpholin-4-ylpropyl)guanidine
CID 111356262
1-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-propylguanidine;hydroiodide
CID 111494531
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111356665
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 110975840) is 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is COCCC/N=C(/NCCCN1CCOCC1)NCCc1ccco1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is MSYAQGWBXGUDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3.HI/c1-23-13-4-8-20-18(21-9-6-17-5-2-14-25-17)19-7-3-10-22-11-15-24-16-12-22;/h2,5,14H,3-4,6-13,15-16H2,1H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 480.39 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(3-methoxypropyl)-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 110975840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).