1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide

C11H20IN5 — CID 119117343

IUPAC1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCn1ccnc1)NC1CCCC1
InChIInChI=1S/C11H19N5.HI/c12-11(15-10-3-1-2-4-10)14-6-8-16-7-5-13-9-16;/h5,7,9-10H,1-4,6,8H2,(H3,12,14,15);1H
InChIKeyYKXQKEIIBUPMGF-UHFFFAOYSA-N
MW349.22 g/mol
LogP1.35
Rot. Bonds4

About 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide

1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 119117343) has the molecular formula C11H20IN5 and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
PubChem CID119117343
Molecular FormulaC11H20IN5
Molecular Weight349.22 g/mol
Exact Mass349.08
IUPAC Name1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCn1ccnc1)NC1CCCC1
InChIInChI=1S/C11H19N5.HI/c12-11(15-10-3-1-2-4-10)14-6-8-16-7-5-13-9-16;/h5,7,9-10H,1-4,6,8H2,(H3,12,14,15);1H
InChIKeyYKXQKEIIBUPMGF-UHFFFAOYSA-N
XLogP1.35
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 51.35
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-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclopentyl-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 110991929
1-cyano-3-cyclooctyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 24858984
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
CID 115570774
1-cyclohexyl-3-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-cyclohexyl-2-[2-(1-methylimidazol-2-yl)ethyl]guanidine
CID 62368222
1-cyclopropyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 62361824
1-cyclopentyl-2-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 103677225

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (CID 119117343) is 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCn1ccnc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is YKXQKEIIBUPMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5.HI/c12-11(15-10-3-1-2-4-10)14-6-8-16-7-5-13-9-16;/h5,7,9-10H,1-4,6,8H2,(H3,12,14,15);1H.
What are the key properties of 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 349.22 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 119117343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).