1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine

C19H29N3O3 — CID 109392480

IUPAC1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
SMILESCOCC/N=C(\NCCc1ccco1)NC1C2CCOC2C12CCC2
InChIInChI=1S/C19H29N3O3/c1-23-13-10-21-18(20-9-5-14-4-2-11-24-14)22-16-15-6-12-25-17(15)19(16)7-3-8-19/h2,4,11,15-17H,3,5-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyAOYDQGBOZFNLGA-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.96
Rot. Bonds7

About 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine

1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine (PubChem CID 109392480) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
PubChem CID109392480
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
SMILESCOCC/N=C(\NCCc1ccco1)NC1C2CCOC2C12CCC2
InChIInChI=1S/C19H29N3O3/c1-23-13-10-21-18(20-9-5-14-4-2-11-24-14)22-16-15-6-12-25-17(15)19(16)7-3-8-19/h2,4,11,15-17H,3,5-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyAOYDQGBOZFNLGA-UHFFFAOYSA-N
XLogP1.96
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.96
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'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-2-methyl-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109402691
1-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 110050529
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine;hydroiodide
CID 109402692
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 110051980
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109392509
1-[2-(furan-2-yl)ethyl]-3-(4-hydroxycyclohexyl)-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111540717
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(furan-2-yl)ethyl]-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109392490
1-ethyl-2-(2-phenoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine;hydroiodide
CID 109391353
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056729
methyl 4-[[N-[2-(furan-2-yl)ethyl]-N'-(2-methoxyethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110055218
1-ethyl-2-(3-phenylpropyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine
CID 109391716
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine
CID 111751527

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine (CID 109392480) is 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine is COCC/N=C(\NCCc1ccco1)NC1C2CCOC2C12CCC2.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine?
The InChIKey is AOYDQGBOZFNLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-23-13-10-21-18(20-9-5-14-4-2-11-24-14)22-16-15-6-12-25-17(15)19(16)7-3-8-19/h2,4,11,15-17H,3,5-10,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine?
1-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine has a molecular weight of 347.46 g/mol, XLogP of 1.96, 7 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]-2-(2-methoxyethyl)-3-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylguanidine is sourced from PubChem (CID 109392480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).