N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C15H28IN3 — CID 111025089

IUPACN'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCC2=CCCCC2)C1.I
InChIInChI=1S/C15H27N3.HI/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14;/h7,13H,2-6,8-12H2,1H3,(H2,16,17);1H
InChIKeyJQINPJAJSJRVGL-UHFFFAOYSA-N
MW377.31 g/mol
LogP3.54
Rot. Bonds3

About N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111025089) has the molecular formula C15H28IN3 and a molecular weight of 377.31 g/mol. Its IUPAC name is N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111025089
Molecular FormulaC15H28IN3
Molecular Weight377.31 g/mol
Exact Mass377.13
IUPAC NameN'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/CCC2=CCCCC2)C1.I
InChIInChI=1S/C15H27N3.HI/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14;/h7,13H,2-6,8-12H2,1H3,(H2,16,17);1H
InChIKeyJQINPJAJSJRVGL-UHFFFAOYSA-N
XLogP3.54
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111025089) is N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/CCC2=CCCCC2)C1.I.
What is the InChIKey of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is JQINPJAJSJRVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3.HI/c1-13-6-5-11-18(12-13)15(16)17-10-9-14-7-3-2-4-8-14;/h7,13H,2-6,8-12H2,1H3,(H2,16,17);1H.
What are the key properties of N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 377.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclohexen-1-yl)ethyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111025089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).