N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

C17H37IN4O — CID 111959546

IUPACN-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCC(CC(C)C)N(C)C)CC1.I
InChIInChI=1S/C17H36N4O.HI/c1-7-22-16-8-10-21(11-9-16)17(18-4)19-13-15(20(5)6)12-14(2)3;/h14-16H,7-13H2,1-6H3,(H,18,19);1H
InChIKeyGUPKVKVVECGNKM-UHFFFAOYSA-N
MW440.41 g/mol
LogP2.66
Rot. Bonds7

About N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide

N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111959546) has the molecular formula C17H37IN4O and a molecular weight of 440.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111959546
Molecular FormulaC17H37IN4O
Molecular Weight440.41 g/mol
Exact Mass440.20
IUPAC NameN-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N/C)NCC(CC(C)C)N(C)C)CC1.I
InChIInChI=1S/C17H36N4O.HI/c1-7-22-16-8-10-21(11-9-16)17(18-4)19-13-15(20(5)6)12-14(2)3;/h14-16H,7-13H2,1-6H3,(H,18,19);1H
InChIKeyGUPKVKVVECGNKM-UHFFFAOYSA-N
XLogP2.66
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 52.66
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-[2-(diethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958943
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111959822
4-ethoxy-N'-methyl-N-(2-phenylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958540
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958183
N-[3-(diethylamino)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959725
N-(2,2-diphenylethyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958951
N-[2-(2,6-dichlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111958911
4-ethoxy-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958694
N-[2-(dimethylamino)-4-methylpentyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741377
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
4-ethoxy-N'-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958874
N'-[2-[cyclopropyl(methyl)amino]propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958906

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide (CID 111959546) is N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N/C)NCC(CC(C)C)N(C)C)CC1.I.
What is the InChIKey of N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is GUPKVKVVECGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O.HI/c1-7-22-16-8-10-21(11-9-16)17(18-4)19-13-15(20(5)6)12-14(2)3;/h14-16H,7-13H2,1-6H3,(H,18,19);1H.
What are the key properties of N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 440.41 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4-methylpentyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).