1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine

C18H31N3O2 — CID 110052644

IUPAC1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine
SMILESCOCCC1(C/N=C(/NCCc2ccco2)NCC(C)C)CC1
InChIInChI=1S/C18H31N3O2/c1-15(2)13-20-17(19-10-6-16-5-4-11-23-16)21-14-18(7-8-18)9-12-22-3/h4-5,11,15H,6-10,12-14H2,1-3H3,(H2,19,20,21)
InChIKeyRBJTWIDIXKOAML-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.83
Rot. Bonds10

About 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine

1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine (PubChem CID 110052644) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine
PubChem CID110052644
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine
SMILESCOCCC1(C/N=C(/NCCc2ccco2)NCC(C)C)CC1
InChIInChI=1S/C18H31N3O2/c1-15(2)13-20-17(19-10-6-16-5-4-11-23-16)21-14-18(7-8-18)9-12-22-3/h4-5,11,15H,6-10,12-14H2,1-3H3,(H2,19,20,21)
InChIKeyRBJTWIDIXKOAML-UHFFFAOYSA-N
XLogP2.83
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-propylguanidine
CID 110052642
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]guanidine
CID 110050848
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-prop-2-enylguanidine
CID 110051946
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-propylguanidine
CID 110050452
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-propylguanidine
CID 110050468
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110051947
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 110052944
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110052621
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110051179
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopentyl]methyl]-3-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110050811
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 110051186
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(2-methylpropyl)guanidine
CID 111491474

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine (CID 110052644) is 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine is COCCC1(C/N=C(/NCCc2ccco2)NCC(C)C)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine?
The InChIKey is RBJTWIDIXKOAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15(2)13-20-17(19-10-6-16-5-4-11-23-16)21-14-18(7-8-18)9-12-22-3/h4-5,11,15H,6-10,12-14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine has a molecular weight of 321.46 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(2-methylpropyl)guanidine is sourced from PubChem (CID 110052644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).