N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide

C20H28N4 — CID 111153497

IUPACN-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1nccc2ccccc12)N1CC(C)CC(C)C1
InChIInChI=1S/C20H28N4/c1-4-21-20(24-13-15(2)11-16(3)14-24)23-12-19-18-8-6-5-7-17(18)9-10-22-19/h5-10,15-16H,4,11-14H2,1-3H3,(H,21,23)
InChIKeyJNUQLFGHRZQBFV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.68
Rot. Bonds3

About N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide

N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide (PubChem CID 111153497) has the molecular formula C20H28N4 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide
PubChem CID111153497
Molecular FormulaC20H28N4
Molecular Weight324.47 g/mol
Exact Mass324.23
IUPAC NameN-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1nccc2ccccc12)N1CC(C)CC(C)C1
InChIInChI=1S/C20H28N4/c1-4-21-20(24-13-15(2)11-16(3)14-24)23-12-19-18-8-6-5-7-17(18)9-10-22-19/h5-10,15-16H,4,11-14H2,1-3H3,(H,21,23)
InChIKeyJNUQLFGHRZQBFV-UHFFFAOYSA-N
XLogP3.68
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.68
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'}

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Related Compounds

N-ethyl-N'-(isoquinolin-1-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983872
N-ethyl-N'-(isoquinolin-1-ylmethyl)-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983871
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154003
N-ethyl-3,5-dimethyl-N'-[(2-methylpyrazol-3-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111153085
N-ethyl-3,5-dimethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
CID 111154175
N-ethyl-3,5-dimethyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 111154067
N-ethyl-N'-[(4-hydroxyphenyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153338
N-ethyl-3,5-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111154095
N-ethyl-3,5-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111154543
N-ethyl-N'-(naphthalen-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207780
2-ethyl-N-(isoquinolin-1-ylmethyl)-N'-methylthiomorpholine-4-carboximidamide
CID 109486484
N-ethyl-4-methyl-N'-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide
CID 75533357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide (CID 111153497) is N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide is CCN/C(=N\Cc1nccc2ccccc12)N1CC(C)CC(C)C1.
What is the InChIKey of N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide?
The InChIKey is JNUQLFGHRZQBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4/c1-4-21-20(24-13-15(2)11-16(3)14-24)23-12-19-18-8-6-5-7-17(18)9-10-22-19/h5-10,15-16H,4,11-14H2,1-3H3,(H,21,23).
What are the key properties of N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide?
N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide has a molecular weight of 324.47 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(isoquinolin-1-ylmethyl)-3,5-dimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111153497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).