1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide

C16H28IN3O3 — CID 110058293

IUPAC1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)NC(C)COC1CCOC1.I
InChIInChI=1S/C16H27N3O3.HI/c1-3-17-16(18-8-6-14-5-4-9-21-14)19-13(2)11-22-15-7-10-20-12-15;/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyXOZOLHNSTQTDCC-UHFFFAOYSA-N
MW437.32 g/mol
LogP2.19
Rot. Bonds8

About 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide

1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide (PubChem CID 110058293) has the molecular formula C16H28IN3O3 and a molecular weight of 437.32 g/mol. Its IUPAC name is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
PubChem CID110058293
Molecular FormulaC16H28IN3O3
Molecular Weight437.32 g/mol
Exact Mass437.12
IUPAC Name1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
SMILESCCN/C(=N\CCc1ccco1)NC(C)COC1CCOC1.I
InChIInChI=1S/C16H27N3O3.HI/c1-3-17-16(18-8-6-14-5-4-9-21-14)19-13(2)11-22-15-7-10-20-12-15;/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyXOZOLHNSTQTDCC-UHFFFAOYSA-N
XLogP2.19
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
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

2-[2-(furan-2-yl)ethyl]-1-[1-(oxolan-3-yloxy)propan-2-yl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 110058320
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-heptan-2-ylguanidine;hydroiodide
CID 111195063
2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine
CID 111978846
1-[2-(furan-2-yl)ethyl]-3-[3-(oxolan-3-yloxy)propyl]-2-propylguanidine;hydroiodide
CID 110058995
1-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)-3-[3-(oxolan-3-yloxy)propyl]guanidine
CID 110058984
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-(3-methylcyclohexyl)guanidine;hydroiodide
CID 110054555
1-butan-2-yl-2-[2-(furan-2-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
CID 136921688
N-[2-[[N-butan-2-yl-N'-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111842235
1-[(4-bromophenyl)methyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
CID 111978839
2-methyl-1-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
CID 111978849
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111236678
N,N-dimethyl-2-[[[1-(oxolan-3-yloxy)propan-2-ylamino]-(thiophen-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110044736

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide (CID 110058293) is 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide is CCN/C(=N\CCc1ccco1)NC(C)COC1CCOC1.I.
What is the InChIKey of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
The InChIKey is XOZOLHNSTQTDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3.HI/c1-3-17-16(18-8-6-14-5-4-9-21-14)19-13(2)11-22-15-7-10-20-12-15;/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide has a molecular weight of 437.32 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide is sourced from PubChem (CID 110058293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).