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

C15H26IN3O2 — CID 111399106

IUPAC1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCc1ccco1)NC1CC1C.I
InChIInChI=1S/C15H25N3O2.HI/c1-3-16-15(18-14-10-12(14)2)17-7-5-8-19-11-13-6-4-9-20-13;/h4,6,9,12,14H,3,5,7-8,10-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyOTWAIBIMRZDOTE-UHFFFAOYSA-N
MW407.30 g/mol
LogP2.77
Rot. Bonds8

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

1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 111399106) has the molecular formula C15H26IN3O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID111399106
Molecular FormulaC15H26IN3O2
Molecular Weight407.30 g/mol
Exact Mass407.11
IUPAC Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOCc1ccco1)NC1CC1C.I
InChIInChI=1S/C15H25N3O2.HI/c1-3-16-15(18-14-10-12(14)2)17-7-5-8-19-11-13-6-4-9-20-13;/h4,6,9,12,14H,3,5,7-8,10-11H2,1-2H3,(H2,16,17,18);1H
InChIKeyOTWAIBIMRZDOTE-UHFFFAOYSA-N
XLogP2.77
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 52.77
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-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(4-methylcyclohexyl)guanidine
CID 111256379
1-ethyl-3-(2-methylcyclopropyl)-2-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 111962110
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111388055
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399076
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111247939
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111400152
1-[2-(azepan-1-yl)ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400063
1-ethyl-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111399050
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111969126
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169126

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 111399106) is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide is CCN/C(=N\CCCOCc1ccco1)NC1CC1C.I.
What is the InChIKey of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is OTWAIBIMRZDOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2.HI/c1-3-16-15(18-14-10-12(14)2)17-7-5-8-19-11-13-6-4-9-20-13;/h4,6,9,12,14H,3,5,7-8,10-11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 407.30 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111399106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).