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

C17H30IN3O2 — CID 110051773

IUPAC1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)NCCC1CCCCO1.I
InChIInChI=1S/C17H29N3O2.HI/c1-2-10-18-17(20-12-9-16-7-5-14-22-16)19-11-8-15-6-3-4-13-21-15;/h5,7,14-15H,2-4,6,8-13H2,1H3,(H2,18,19,20);1H
InChIKeyYMPLYIBAKNWKOL-UHFFFAOYSA-N
MW435.35 g/mol
LogP3.34
Rot. Bonds8

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

1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide (PubChem CID 110051773) has the molecular formula C17H30IN3O2 and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide
PubChem CID110051773
Molecular FormulaC17H30IN3O2
Molecular Weight435.35 g/mol
Exact Mass435.14
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\NCCc1ccco1)NCCC1CCCCO1.I
InChIInChI=1S/C17H29N3O2.HI/c1-2-10-18-17(20-12-9-16-7-5-14-22-16)19-11-8-15-6-3-4-13-21-15;/h5,7,14-15H,2-4,6,8-13H2,1H3,(H2,18,19,20);1H
InChIKeyYMPLYIBAKNWKOL-UHFFFAOYSA-N
XLogP3.34
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.35
LogP ≤ 53.34
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-(furan-2-yl)ethyl]-3-[3-(oxan-2-yl)propyl]-2-propylguanidine
CID 110051880
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]-2-[(4-methoxyphenyl)methyl]-3-[2-(oxan-2-yl)ethyl]guanidine
CID 110051032
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-(oxan-2-ylmethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111651671
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(2-phenylethyl)guanidine;hydroiodide
CID 111751463
1-[2-(furan-2-yl)ethyl]-2-(oxolan-2-ylmethyl)-3-pentylguanidine
CID 111538242
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(oxan-2-ylmethylsulfamoyl)ethyl]guanidine
CID 111831077
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 111842135
1-[2-(furan-2-yl)ethyl]-3-(6-hydroxyhexyl)-2-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 110050991
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-prop-2-enylguanidine;hydroiodide
CID 111355047
1-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111491355

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide (CID 110051773) is 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide is CCC/N=C(\NCCc1ccco1)NCCC1CCCCO1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The InChIKey is YMPLYIBAKNWKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.HI/c1-2-10-18-17(20-12-9-16-7-5-14-22-16)19-11-8-15-6-3-4-13-21-15;/h5,7,14-15H,2-4,6,8-13H2,1H3,(H2,18,19,20);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-3-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide has a molecular weight of 435.35 g/mol, XLogP of 3.34, 8 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-[2-(oxan-2-yl)ethyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 110051773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).