N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide

C16H34IN5 — CID 111739767

IUPACN-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(CCN/C(=N/C)N2CCC(C)(C)C2)CC1.I
InChIInChI=1S/C16H33N5.HI/c1-5-19-10-12-20(13-11-19)9-7-18-15(17-4)21-8-6-16(2,3)14-21;/h5-14H2,1-4H3,(H,17,18);1H
InChIKeyCLDRPIGDVCPQIC-UHFFFAOYSA-N
MW423.39 g/mol
LogP1.55
Rot. Bonds4

About N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111739767) has the molecular formula C16H34IN5 and a molecular weight of 423.39 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111739767
Molecular FormulaC16H34IN5
Molecular Weight423.39 g/mol
Exact Mass423.19
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN1CCN(CCN/C(=N/C)N2CCC(C)(C)C2)CC1.I
InChIInChI=1S/C16H33N5.HI/c1-5-19-10-12-20(13-11-19)9-7-18-15(17-4)21-8-6-16(2,3)14-21;/h5-14H2,1-4H3,(H,17,18);1H
InChIKeyCLDRPIGDVCPQIC-UHFFFAOYSA-N
XLogP1.55
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 51.55
H-Bond Donors ≤ 51
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

N',3,3-trimethyl-N-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739653
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-methyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744466
N-(2-ethoxyethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111738667
N-(2-ethylsulfonylethyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740243
N-[4-(4-ethylpiperazin-1-yl)butyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide
CID 109488574
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739486
N-(3-ethoxypropyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739025
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739753
N',3,3-trimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111739769
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111996230
N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111740359

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111739767) is N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide is CCN1CCN(CCN/C(=N/C)N2CCC(C)(C)C2)CC1.I.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is CLDRPIGDVCPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N5.HI/c1-5-19-10-12-20(13-11-19)9-7-18-15(17-4)21-8-6-16(2,3)14-21;/h5-14H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 423.39 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111739767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).