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

C12H25IN4 — CID 119117536

IUPAC1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCN1CCCC1)NC1CCCC1
InChIInChI=1S/C12H24N4.HI/c13-12(15-11-5-1-2-6-11)14-7-10-16-8-3-4-9-16;/h11H,1-10H2,(H3,13,14,15);1H
InChIKeyWLSGYYGVJZACOT-UHFFFAOYSA-N
MW352.26 g/mol
LogP1.55
Rot. Bonds4

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

1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 119117536) has the molecular formula C12H25IN4 and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID119117536
Molecular FormulaC12H25IN4
Molecular Weight352.26 g/mol
Exact Mass352.11
IUPAC Name1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CCN1CCCC1)NC1CCCC1
InChIInChI=1S/C12H24N4.HI/c13-12(15-11-5-1-2-6-11)14-7-10-16-8-3-4-9-16;/h11H,1-10H2,(H3,13,14,15);1H
InChIKeyWLSGYYGVJZACOT-UHFFFAOYSA-N
XLogP1.55
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
CID 111567374
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-cyclohexyl-2-[3-(3-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111056913
1-cyclohexyl-3-ethyl-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 110959024
ethyl 4-[[N'-(4-pyrrolidin-1-ylbutyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111059784
1-cyclopentyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 119117343
N'-(2-piperidin-1-ylethyl)cyclohexanecarboximidamide
CID 63176513
ethyl 4-[[N'-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111071044

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 119117536) is 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is I.N/C(=N\CCN1CCCC1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is WLSGYYGVJZACOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4.HI/c13-12(15-11-5-1-2-6-11)14-7-10-16-8-3-4-9-16;/h11H,1-10H2,(H3,13,14,15);1H.
What are the key properties of 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 352.26 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 119117536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).