N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide

C13H27IN4 — CID 111026588

IUPACN'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H26N4.HI/c1-2-16-10-6-7-12(16)11-15-13(14)17-8-4-3-5-9-17;/h12H,2-11H2,1H3,(H2,14,15);1H
InChIKeyCGSVLTAVEMJEPI-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.89
Rot. Bonds3

About N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide

N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111026588) has the molecular formula C13H27IN4 and a molecular weight of 366.29 g/mol. Its IUPAC name is N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111026588
Molecular FormulaC13H27IN4
Molecular Weight366.29 g/mol
Exact Mass366.13
IUPAC NameN'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H26N4.HI/c1-2-16-10-6-7-12(16)11-15-13(14)17-8-4-3-5-9-17;/h12H,2-11H2,1H3,(H2,14,15);1H
InChIKeyCGSVLTAVEMJEPI-UHFFFAOYSA-N
XLogP1.89
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
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

N'-[(1-ethylpiperidin-2-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111803495
2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]guanidine
CID 59851432
N'-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111026582
1-[2-(azepan-1-yl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111057037
1-cyclohexyl-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803516
N'-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111803536
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111807627
N'-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111807637
2-[(1-ethylpiperidin-2-yl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111803509
N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111098316
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-spiro[2.2]pentan-2-ylguanidine;hydroiodide
CID 122125996
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 111063441

Frequently Asked Questions

What is the IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide (CID 111026588) is N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is CCN1CCCC1C/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CGSVLTAVEMJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4.HI/c1-2-16-10-6-7-12(16)11-15-13(14)17-8-4-3-5-9-17;/h12H,2-11H2,1H3,(H2,14,15);1H.
What are the key properties of N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide?
N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 366.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111026588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).