1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide

C20H37IN4O2 — CID 111712180

IUPAC1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
SMILESCCCC(CCO)C/N=C(\NCC)NCC(c1ccco1)N1CCCC1.I
InChIInChI=1S/C20H36N4O2.HI/c1-3-8-17(10-13-25)15-22-20(21-4-2)23-16-18(19-9-7-14-26-19)24-11-5-6-12-24;/h7,9,14,17-18,25H,3-6,8,10-13,15-16H2,1-2H3,(H2,21,22,23);1H
InChIKeyPXGRBIUCDRDDFL-UHFFFAOYSA-N
MW492.45 g/mol
LogP3.39
Rot. Bonds11

About 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide

1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide (PubChem CID 111712180) 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-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
PubChem CID111712180
Molecular FormulaC20H37IN4O2
Molecular Weight492.45 g/mol
Exact Mass492.20
IUPAC Name1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
SMILESCCCC(CCO)C/N=C(\NCC)NCC(c1ccco1)N1CCCC1.I
InChIInChI=1S/C20H36N4O2.HI/c1-3-8-17(10-13-25)15-22-20(21-4-2)23-16-18(19-9-7-14-26-19)24-11-5-6-12-24;/h7,9,14,17-18,25H,3-6,8,10-13,15-16H2,1-2H3,(H2,21,22,23);1H
InChIKeyPXGRBIUCDRDDFL-UHFFFAOYSA-N
XLogP3.39
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 53.39
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-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111007182
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111007155
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111715579
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N-propylacetamide
CID 111304741
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[(1-hydroxycyclohexyl)methyl]guanidine
CID 111006911
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257443
2-[[ethylamino-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111305090
1-ethyl-3-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712598
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[(1-methylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111008270
1-ethyl-2-[2-(2-hydroxyethyl)-4-methylpentyl]-3-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111714923
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[[4-(methoxymethyl)phenyl]methyl]guanidine
CID 111007073

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide (CID 111712180) is 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide is CCCC(CCO)C/N=C(\NCC)NCC(c1ccco1)N1CCCC1.I.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
The InChIKey is PXGRBIUCDRDDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.HI/c1-3-8-17(10-13-25)15-22-20(21-4-2)23-16-18(19-9-7-14-26-19)24-11-5-6-12-24;/h7,9,14,17-18,25H,3-6,8,10-13,15-16H2,1-2H3,(H2,21,22,23);1H.
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide?
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide has a molecular weight of 492.45 g/mol, XLogP of 3.39, 11 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-pyrrolidin-1-ylethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide is sourced from PubChem (CID 111712180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).