1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide

C19H35IN4O2 — CID 111542313

IUPAC1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCOCCN/C(=N\CC(C)(C)N1CCCCC1)NCCc1ccco1.I
InChIInChI=1S/C19H34N4O2.HI/c1-19(2,23-12-5-4-6-13-23)16-22-18(21-11-15-24-3)20-10-9-17-8-7-14-25-17;/h7-8,14H,4-6,9-13,15-16H2,1-3H3,(H2,20,21,22);1H
InChIKeyJLTQNYULEPGGFA-UHFFFAOYSA-N
MW478.42 g/mol
LogP2.89
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide (PubChem CID 111542313) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
PubChem CID111542313
Molecular FormulaC19H35IN4O2
Molecular Weight478.42 g/mol
Exact Mass478.18
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide
SMILESCOCCN/C(=N\CC(C)(C)N1CCCCC1)NCCc1ccco1.I
InChIInChI=1S/C19H34N4O2.HI/c1-19(2,23-12-5-4-6-13-23)16-22-18(21-11-15-24-3)20-10-9-17-8-7-14-25-17;/h7-8,14H,4-6,9-13,15-16H2,1-3H3,(H2,20,21,22);1H
InChIKeyJLTQNYULEPGGFA-UHFFFAOYSA-N
XLogP2.89
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.42
LogP ≤ 52.89
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'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111542314
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111320348
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-methoxyethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111751321
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111538635
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111751245
2-[[[2-(furan-2-yl)ethylamino]-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 111907101
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111541908
2-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111354354
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111491741
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111751550
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111751453

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide (CID 111542313) is 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide is COCCN/C(=N\CC(C)(C)N1CCCCC1)NCCc1ccco1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
The InChIKey is JLTQNYULEPGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-19(2,23-12-5-4-6-13-23)16-22-18(21-11-15-24-3)20-10-9-17-8-7-14-25-17;/h7-8,14H,4-6,9-13,15-16H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111542313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).