N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

C19H35IN4 — CID 119143218

IUPACN'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC=CCC1)N1CCC(N2CCCCC2)C1.I
InChIInChI=1S/C19H34N4.HI/c1-2-20-19(21-15-17-9-5-3-6-10-17)23-14-11-18(16-23)22-12-7-4-8-13-22;/h3,5,17-18H,2,4,6-16H2,1H3,(H,20,21);1H
InChIKeyJLUMOLTYMYMEEU-UHFFFAOYSA-N
MW446.42 g/mol
LogP3.49
Rot. Bonds4

About N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide

N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119143218) has the molecular formula C19H35IN4 and a molecular weight of 446.42 g/mol. Its IUPAC name is N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119143218
Molecular FormulaC19H35IN4
Molecular Weight446.42 g/mol
Exact Mass446.19
IUPAC NameN'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CC=CCC1)N1CCC(N2CCCCC2)C1.I
InChIInChI=1S/C19H34N4.HI/c1-2-20-19(21-15-17-9-5-3-6-10-17)23-14-11-18(16-23)22-12-7-4-8-13-22;/h3,5,17-18H,2,4,6-16H2,1H3,(H,20,21);1H
InChIKeyJLUMOLTYMYMEEU-UHFFFAOYSA-N
XLogP3.49
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.42
LogP ≤ 53.49
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(oxolan-3-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143133
N-ethyl-N'-(oxan-2-ylmethyl)-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143124
N-(cyclohex-3-en-1-ylmethyl)-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 119142787
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
N-ethyl-3-morpholin-4-yl-N'-(oxan-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 119142705
N'-(cyclopropylmethyl)-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144379
N-ethyl-N'-(2-methyl-3-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111728332
N'-[(1,1-dioxothiolan-3-yl)methyl]-3-piperidin-1-yl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 119143095
N-ethyl-N'-(2-methyl-2-piperidin-1-ylpropyl)-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726891
N-ethyl-3-morpholin-4-yl-N'-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 111727609
N'-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboximidamide
CID 119143243
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-3-pyrrolidin-1-ylpyrrolidine-1-carboximidamide
CID 109395042

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 119143218) is N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CC=CCC1)N1CCC(N2CCCCC2)C1.I.
What is the InChIKey of N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is JLUMOLTYMYMEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4.HI/c1-2-20-19(21-15-17-9-5-3-6-10-17)23-14-11-18(16-23)22-12-7-4-8-13-22;/h3,5,17-18H,2,4,6-16H2,1H3,(H,20,21);1H.
What are the key properties of N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide?
N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 446.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-en-1-ylmethyl)-N-ethyl-3-piperidin-1-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119143218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).