1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

C15H28IN3O2 — CID 111777415

IUPAC1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCOCCN/C(=N\CC(C)C)NCCc1ccco1.I
InChIInChI=1S/C15H27N3O2.HI/c1-4-19-11-9-17-15(18-12-13(2)3)16-8-7-14-6-5-10-20-14;/h5-6,10,13H,4,7-9,11-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyGMNNUSGECQEXQF-UHFFFAOYSA-N
MW409.31 g/mol
LogP2.67
Rot. Bonds9

About 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide

1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (PubChem CID 111777415) has the molecular formula C15H28IN3O2 and a molecular weight of 409.31 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
PubChem CID111777415
Molecular FormulaC15H28IN3O2
Molecular Weight409.31 g/mol
Exact Mass409.12
IUPAC Name1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
SMILESCCOCCN/C(=N\CC(C)C)NCCc1ccco1.I
InChIInChI=1S/C15H27N3O2.HI/c1-4-19-11-9-17-15(18-12-13(2)3)16-8-7-14-6-5-10-20-14;/h5-6,10,13H,4,7-9,11-12H2,1-3H3,(H2,16,17,18);1H
InChIKeyGMNNUSGECQEXQF-UHFFFAOYSA-N
XLogP2.67
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-2-(2-methylpropyl)-3-prop-2-ynylguanidine;hydroiodide
CID 111777355
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutyl)guanidine
CID 110978803
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002246
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 111540305
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111008470
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111353432
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236678
1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111862403
1-(2-ethoxyethyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111842213
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(2-phenylsulfanylpropyl)guanidine;hydroiodide
CID 111981608

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The IUPAC name of 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide (CID 111777415) is 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is CCOCCN/C(=N\CC(C)C)NCCc1ccco1.I.
What is the InChIKey of 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
The InChIKey is GMNNUSGECQEXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.HI/c1-4-19-11-9-17-15(18-12-13(2)3)16-8-7-14-6-5-10-20-14;/h5-6,10,13H,4,7-9,11-12H2,1-3H3,(H2,16,17,18);1H.
What are the key properties of 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide?
1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide has a molecular weight of 409.31 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111777415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).