1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide

C18H29IN6O — CID 110051069

IUPAC1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
SMILESI.c1coc(CCN/C(=N\CCCn2ccnn2)NC2CCCCC2)c1
InChIInChI=1S/C18H28N6O.HI/c1-2-6-16(7-3-1)22-18(20-11-9-17-8-4-15-25-17)19-10-5-13-24-14-12-21-23-24;/h4,8,12,14-16H,1-3,5-7,9-11,13H2,(H2,19,20,22);1H
InChIKeyXWSHFLKMNPVCLR-UHFFFAOYSA-N
MW472.38 g/mol
LogP2.99
Rot. Bonds8

About 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide

1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide (PubChem CID 110051069) has the molecular formula C18H29IN6O and a molecular weight of 472.38 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
PubChem CID110051069
Molecular FormulaC18H29IN6O
Molecular Weight472.38 g/mol
Exact Mass472.14
IUPAC Name1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
SMILESI.c1coc(CCN/C(=N\CCCn2ccnn2)NC2CCCCC2)c1
InChIInChI=1S/C18H28N6O.HI/c1-2-6-16(7-3-1)22-18(20-11-9-17-8-4-15-25-17)19-10-5-13-24-14-12-21-23-24;/h4,8,12,14-16H,1-3,5-7,9-11,13H2,(H2,19,20,22);1H
InChIKeyXWSHFLKMNPVCLR-UHFFFAOYSA-N
XLogP2.99
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;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-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(6-hydroxyhexyl)guanidine
CID 110051728
1-[2-(furan-2-yl)ethyl]-3-(3-morpholin-4-ylpropyl)-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
CID 110051819
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide
CID 110051073
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111354805
1-cyclopentyl-2-[2-(furan-2-yl)ethyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]guanidine;hydroiodide
CID 110051127
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(2-oxoazepan-1-yl)propyl]guanidine
CID 111347622
2-butyl-1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110056439
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide (CID 110051069) is 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide is I.c1coc(CCN/C(=N\CCCn2ccnn2)NC2CCCCC2)c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide?
The InChIKey is XWSHFLKMNPVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O.HI/c1-2-6-16(7-3-1)22-18(20-11-9-17-8-4-15-25-17)19-10-5-13-24-14-12-21-23-24;/h4,8,12,14-16H,1-3,5-7,9-11,13H2,(H2,19,20,22);1H.
What are the key properties of 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide?
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide has a molecular weight of 472.38 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[3-(triazol-1-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110051069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).