1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide

C16H24IN3O3 — CID 110938717

IUPAC1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)NCCCOCc1ccco1.I
InChIInChI=1S/C16H23N3O3.HI/c1-2-17-16(19-12-14-6-3-10-21-14)18-8-5-9-20-13-15-7-4-11-22-15;/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H2,17,18,19);1H
InChIKeyIKELDQLNLRLQLH-UHFFFAOYSA-N
MW433.29 g/mol
LogP3.15
Rot. Bonds9

About 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide

1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110938717) has the molecular formula C16H24IN3O3 and a molecular weight of 433.29 g/mol. Its IUPAC name is 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
PubChem CID110938717
Molecular FormulaC16H24IN3O3
Molecular Weight433.29 g/mol
Exact Mass433.09
IUPAC Name1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccco1)NCCCOCc1ccco1.I
InChIInChI=1S/C16H23N3O3.HI/c1-2-17-16(19-12-14-6-3-10-21-14)18-8-5-9-20-13-15-7-4-11-22-15;/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H2,17,18,19);1H
InChIKeyIKELDQLNLRLQLH-UHFFFAOYSA-N
XLogP3.15
TPSA71.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 53.15
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-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111399612
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 110938719
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216932
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-hydroxyphenyl)methyl]guanidine
CID 111399519
2-[(4-bromothiophen-2-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399360
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-propan-2-yloxyphenyl)methyl]guanidine;hydroiodide
CID 111399994
1-ethyl-2-(furan-2-ylmethyl)-3-[3-(2-phenylethoxy)propyl]guanidine;hydroiodide
CID 110938885
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111250472
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111399086
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[[2-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]methyl]guanidine;hydroiodide
CID 111776545
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111797691
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide (CID 110938717) is 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide is CCN/C(=N\Cc1ccco1)NCCCOCc1ccco1.I.
What is the InChIKey of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is IKELDQLNLRLQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.HI/c1-2-17-16(19-12-14-6-3-10-21-14)18-8-5-9-20-13-15-7-4-11-22-15;/h3-4,6-7,10-11H,2,5,8-9,12-13H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 433.29 g/mol, XLogP of 3.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110938717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).