N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide

C16H33IN4 — CID 111740359

IUPACN-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN1CCCCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C16H32N4.HI/c1-4-17-15(20-12-8-16(2,3)14-20)18-9-13-19-10-6-5-7-11-19;/h4-14H2,1-3H3,(H,17,18);1H
InChIKeyPKFNXXZMNBRPMS-UHFFFAOYSA-N
MW408.37 g/mol
LogP2.79
Rot. Bonds4

About N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide

N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111740359) has the molecular formula C16H33IN4 and a molecular weight of 408.37 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111740359
Molecular FormulaC16H33IN4
Molecular Weight408.37 g/mol
Exact Mass408.17
IUPAC NameN-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCN1CCCCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C16H32N4.HI/c1-4-17-15(20-12-8-16(2,3)14-20)18-9-13-19-10-6-5-7-11-19;/h4-14H2,1-3H3,(H,17,18);1H
InChIKeyPKFNXXZMNBRPMS-UHFFFAOYSA-N
XLogP2.79
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.37
LogP ≤ 52.79
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',3,3-trimethyl-N-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111739653
N-ethyl-N'-(2-methoxyethyl)-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739561
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745179
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994848
1-[4-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]butyl]piperidine-4-carboxamide
CID 111740430
N'-[2-(diethylamino)ethyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111740404
methyl 3-[[(3,3-dimethylpyrrolidin-1-yl)-(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111739881
N'-[7-(dimethylamino)heptyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740191
N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111738960
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-3,3-dimethylpyrrolidine-1-carboximidamide
CID 111995001
N-ethyl-3,3-dimethyl-N'-(2-sulfamoylethyl)pyrrolidine-1-carboximidamide
CID 111740084
methyl 1-[N'-[2-(azepan-1-yl)ethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252972

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide (CID 111740359) is N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCN1CCCCC1)N1CCC(C)(C)C1.I.
What is the InChIKey of N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is PKFNXXZMNBRPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4.HI/c1-4-17-15(20-12-8-16(2,3)14-20)18-9-13-19-10-6-5-7-11-19;/h4-14H2,1-3H3,(H,17,18);1H.
What are the key properties of N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide?
N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 408.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-N'-(2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111740359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).