1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide

C13H24IN5 — CID 110991930

IUPAC1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1)NC1CCCC1.I
InChIInChI=1S/C13H23N5.HI/c1-2-15-13(17-12-5-3-4-6-12)16-8-10-18-9-7-14-11-18;/h7,9,11-12H,2-6,8,10H2,1H3,(H2,15,16,17);1H
InChIKeySVRPLEBAGSXZFD-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.00
Rot. Bonds5

About 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide

1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (PubChem CID 110991930) has the molecular formula C13H24IN5 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
PubChem CID110991930
Molecular FormulaC13H24IN5
Molecular Weight377.27 g/mol
Exact Mass377.11
IUPAC Name1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCn1ccnc1)NC1CCCC1.I
InChIInChI=1S/C13H23N5.HI/c1-2-15-13(17-12-5-3-4-6-12)16-8-10-18-9-7-14-11-18;/h7,9,11-12H,2-6,8,10H2,1H3,(H2,15,16,17);1H
InChIKeySVRPLEBAGSXZFD-UHFFFAOYSA-N
XLogP2.00
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.00
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-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-ethyl-2-(2-imidazol-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318591
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
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-(3-imidazol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110958079
1-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 111924989
1-butan-2-yl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110945365
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892
N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111927137

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide (CID 110991930) is 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCn1ccnc1)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is SVRPLEBAGSXZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5.HI/c1-2-15-13(17-12-5-3-4-6-12)16-8-10-18-9-7-14-11-18;/h7,9,11-12H,2-6,8,10H2,1H3,(H2,15,16,17);1H.
What are the key properties of 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide?
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110991930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).