N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

C17H30IN5 — CID 111145099

IUPACN'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1N(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C17H29N5.HI/c1-5-18-17(22-11-7-8-14(2)13-22)20-12-15-9-6-10-19-16(15)21(3)4;/h6,9-10,14H,5,7-8,11-13H2,1-4H3,(H,18,20);1H
InChIKeyFHJWOYVQJITORS-UHFFFAOYSA-N
MW431.37 g/mol
LogP2.96
Rot. Bonds4

About N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111145099) has the molecular formula C17H30IN5 and a molecular weight of 431.37 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111145099
Molecular FormulaC17H30IN5
Molecular Weight431.37 g/mol
Exact Mass431.15
IUPAC NameN'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1cccnc1N(C)C)N1CCCC(C)C1.I
InChIInChI=1S/C17H29N5.HI/c1-5-18-17(22-11-7-8-14(2)13-22)20-12-15-9-6-10-19-16(15)21(3)4;/h6,9-10,14H,5,7-8,11-13H2,1-4H3,(H,18,20);1H
InChIKeyFHJWOYVQJITORS-UHFFFAOYSA-N
XLogP2.96
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 52.96
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-ethoxy-3-pyridinyl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111145375
N-ethyl-N'-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111144450
N'-[[2-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
CID 111145326
N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205477
N'-[[2-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143883
N'-[[2-(ethoxymethyl)phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144139
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111143751
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255720
N-ethyl-3-methyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111145063
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144647
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370938
N-ethyl-N'-[(2-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperidine-1-carboximidamide
CID 111154003

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111145099) is N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1cccnc1N(C)C)N1CCCC(C)C1.I.
What is the InChIKey of N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is FHJWOYVQJITORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5.HI/c1-5-18-17(22-11-7-8-14(2)13-22)20-12-15-9-6-10-19-16(15)21(3)4;/h6,9-10,14H,5,7-8,11-13H2,1-4H3,(H,18,20);1H.
What are the key properties of N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 431.37 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).