1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine

C18H31N3O2 — CID 110051880

IUPAC1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine
SMILESCCC/N=C(/NCCCC1CCCCO1)NCCc1ccco1
InChIInChI=1S/C18H31N3O2/c1-2-11-19-18(21-13-10-17-9-6-15-23-17)20-12-5-8-16-7-3-4-14-22-16/h6,9,15-16H,2-5,7-8,10-14H2,1H3,(H2,19,20,21)
InChIKeyNHNIQJRSWUWTKZ-UHFFFAOYSA-N
MW321.46 g/mol
LogP3.12
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine

1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine (PubChem CID 110051880) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine
PubChem CID110051880
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine
SMILESCCC/N=C(/NCCCC1CCCCO1)NCCc1ccco1
InChIInChI=1S/C18H31N3O2/c1-2-11-19-18(21-13-10-17-9-6-15-23-17)20-12-5-8-16-7-3-4-14-22-16/h6,9,15-16H,2-5,7-8,10-14H2,1H3,(H2,19,20,21)
InChIKeyNHNIQJRSWUWTKZ-UHFFFAOYSA-N
XLogP3.12
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.12
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'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110051773
1-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)-3-pentylguanidine
CID 111538242
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111354793
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
1-[2-(furan-2-yl)ethyl]-3-(6-hydroxyhexyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050991
1-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651785
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831077
1-[2-(furan-2-yl)ethyl]-3-(oxan-2-ylmethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651671
1-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]-3-[2-(oxan-2-yl)ethyl]guanidine
CID 110051032
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110051389
1-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 111494562
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]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine (CID 110051880) is 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine is CCC/N=C(/NCCCC1CCCCO1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine?
The InChIKey is NHNIQJRSWUWTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-2-11-19-18(21-13-10-17-9-6-15-23-17)20-12-5-8-16-7-3-4-14-22-16/h6,9,15-16H,2-5,7-8,10-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine?
1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine has a molecular weight of 321.46 g/mol, XLogP of 3.12, 9 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]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine is sourced from PubChem (CID 110051880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).