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

C17H32IN3O2 — CID 111769874

IUPAC1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCCCOCCCN/C(=N\CCC)NCCc1ccco1.I
InChIInChI=1S/C17H31N3O2.HI/c1-3-5-13-21-14-7-11-19-17(18-10-4-2)20-12-9-16-8-6-15-22-16;/h6,8,15H,3-5,7,9-14H2,1-2H3,(H2,18,19,20);1H
InChIKeyYWKRMNBFSGCHDL-UHFFFAOYSA-N
MW437.37 g/mol
LogP3.59
Rot. Bonds12

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

1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide (PubChem CID 111769874) has the molecular formula C17H32IN3O2 and a molecular weight of 437.37 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
PubChem CID111769874
Molecular FormulaC17H32IN3O2
Molecular Weight437.37 g/mol
Exact Mass437.15
IUPAC Name1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
SMILESCCCCOCCCN/C(=N\CCC)NCCc1ccco1.I
InChIInChI=1S/C17H31N3O2.HI/c1-3-5-13-21-14-7-11-19-17(18-10-4-2)20-12-9-16-8-6-15-22-16;/h6,8,15H,3-5,7,9-14H2,1-2H3,(H2,18,19,20);1H
InChIKeyYWKRMNBFSGCHDL-UHFFFAOYSA-N
XLogP3.59
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 53.59
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-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-propylguanidine;hydroiodide
CID 111494531
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111769882
1-[2-(furan-2-yl)ethyl]-3-[3-(oxolan-3-yloxy)propyl]-2-propylguanidine;hydroiodide
CID 110058995
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111354793
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111240850
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111355559
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367
1-butyl-3-[2-(furan-2-yl)ethyl]-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642727
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide (CID 111769874) is 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide is CCCCOCCCN/C(=N\CCC)NCCc1ccco1.I.
What is the InChIKey of 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
The InChIKey is YWKRMNBFSGCHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.HI/c1-3-5-13-21-14-7-11-19-17(18-10-4-2)20-12-9-16-8-6-15-22-16;/h6,8,15H,3-5,7,9-14H2,1-2H3,(H2,18,19,20);1H.
What are the key properties of 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide?
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide has a molecular weight of 437.37 g/mol, XLogP of 3.59, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111769874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).