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

C15H28IN3O — CID 111765966

IUPAC1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
SMILESCCCCCN/C(=N\CCC)NCCc1ccco1.I
InChIInChI=1S/C15H27N3O.HI/c1-3-5-6-11-17-15(16-10-4-2)18-12-9-14-8-7-13-19-14;/h7-8,13H,3-6,9-12H2,1-2H3,(H2,16,17,18);1H
InChIKeyMILFHNXEUGVBIR-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.58
Rot. Bonds9

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

1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide (PubChem CID 111765966) has the molecular formula C15H28IN3O and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
PubChem CID111765966
Molecular FormulaC15H28IN3O
Molecular Weight393.31 g/mol
Exact Mass393.13
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
SMILESCCCCCN/C(=N\CCC)NCCc1ccco1.I
InChIInChI=1S/C15H27N3O.HI/c1-3-5-6-11-17-15(16-10-4-2)18-12-9-14-8-7-13-19-14;/h7-8,13H,3-6,9-12H2,1-2H3,(H2,16,17,18);1H
InChIKeyMILFHNXEUGVBIR-UHFFFAOYSA-N
XLogP3.58
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111769874
1-[2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-2-propylguanidine;hydroiodide
CID 111494531
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-propylguanidine
CID 111226057
1-butyl-3-[2-(furan-2-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111356517
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-propylguanidine
CID 111541292
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110059677
2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
1-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]-2-propylguanidine
CID 110052184
2-(3-ethoxypropyl)-1-[2-(furan-2-yl)ethyl]-3-(4-methoxybutyl)guanidine;hydroiodide
CID 111355367

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide (CID 111765966) is 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide is CCCCCN/C(=N\CCC)NCCc1ccco1.I.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide?
The InChIKey is MILFHNXEUGVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O.HI/c1-3-5-6-11-17-15(16-10-4-2)18-12-9-14-8-7-13-19-14;/h7-8,13H,3-6,9-12H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide?
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide has a molecular weight of 393.31 g/mol, XLogP of 3.58, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111765966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).