2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide

C13H25IN4 — CID 122125996

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)NC1CC12CC2.I
InChIInChI=1S/C13H24N4.HI/c1-2-17-7-3-4-10(17)9-15-12(14)16-11-8-13(11)5-6-13;/h10-11H,2-9H2,1H3,(H3,14,15,16);1H
InChIKeyGUSUGUWTAGHDQJ-UHFFFAOYSA-N
MW364.28 g/mol
LogP1.55
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide (PubChem CID 122125996) has the molecular formula C13H25IN4 and a molecular weight of 364.28 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
PubChem CID122125996
Molecular FormulaC13H25IN4
Molecular Weight364.28 g/mol
Exact Mass364.11
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)NC1CC12CC2.I
InChIInChI=1S/C13H24N4.HI/c1-2-17-7-3-4-10(17)9-15-12(14)16-11-8-13(11)5-6-13;/h10-11H,2-9H2,1H3,(H3,14,15,16);1H
InChIKeyGUSUGUWTAGHDQJ-UHFFFAOYSA-N
XLogP1.55
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
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

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-hydroxycyclobutyl)guanidine
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2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
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2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylguanidine
CID 109394337
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
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2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methylsulfonylethyl)guanidine;hydroiodide
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1-[2-[ethyl(methyl)amino]ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111085782
1-(2-tert-butylsulfinylethyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111811457
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026588
2-(oxolan-2-ylmethyl)-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide (CID 122125996) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide is CCN1CCCC1C/N=C(\N)NC1CC12CC2.I.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
The InChIKey is GUSUGUWTAGHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4.HI/c1-2-17-7-3-4-10(17)9-15-12(14)16-11-8-13(11)5-6-13;/h10-11H,2-9H2,1H3,(H3,14,15,16);1H.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide has a molecular weight of 364.28 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 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 122125996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).