1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

C20H37IN4O2 — CID 111672859

IUPAC1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCC(C)(O)c1ccco1.I
InChIInChI=1S/C20H36N4O2.HI/c1-6-21-18(23-15-20(5,25)17-10-8-12-26-17)22-14-19(3,4)24-11-7-9-16(2)13-24;/h8,10,12,16,25H,6-7,9,11,13-15H2,1-5H3,(H2,21,22,23);1H
InChIKeyYYIILOWAIIDJNA-UHFFFAOYSA-N
MW492.45 g/mol
LogP3.17
Rot. Bonds7

About 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide

1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (PubChem CID 111672859) has the molecular formula C20H37IN4O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
PubChem CID111672859
Molecular FormulaC20H37IN4O2
Molecular Weight492.45 g/mol
Exact Mass492.20
IUPAC Name1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCC(C)(O)c1ccco1.I
InChIInChI=1S/C20H36N4O2.HI/c1-6-21-18(23-15-20(5,25)17-10-8-12-26-17)22-14-19(3,4)24-11-7-9-16(2)13-24;/h8,10,12,16,25H,6-7,9,11,13-15H2,1-5H3,(H2,21,22,23);1H
InChIKeyYYIILOWAIIDJNA-UHFFFAOYSA-N
XLogP3.17
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[4-(3-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111672243
1-ethyl-3-(2-methoxyethyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110939301
1-ethyl-3-(2-methylcyclopropyl)-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine
CID 111963363
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111671829
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111194343
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 111672692
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111672407
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(1-propylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111671471
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[[4-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111519354
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine;hydroiodide
CID 111663834
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111672263
2-[(2-cyclopentyloxyphenyl)methyl]-1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]guanidine;hydroiodide
CID 111672867

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide (CID 111672859) is 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)(C)N1CCCC(C)C1)NCC(C)(O)c1ccco1.I.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is YYIILOWAIIDJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.HI/c1-6-21-18(23-15-20(5,25)17-10-8-12-26-17)22-14-19(3,4)24-11-7-9-16(2)13-24;/h8,10,12,16,25H,6-7,9,11,13-15H2,1-5H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide?
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 492.45 g/mol, XLogP of 3.17, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111672859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).