N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

C14H30IN3O2 — CID 111153374

IUPACN-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOCCOC)N1CC(C)CC(C)C1.I
InChIInChI=1S/C14H29N3O2.HI/c1-12-9-13(2)11-17(10-12)14(15-3)16-5-6-19-8-7-18-4;/h12-13H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyYPGRQIIMDXDBSZ-UHFFFAOYSA-N
MW399.32 g/mol
LogP1.82
Rot. Bonds6

About N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide

N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111153374) has the molecular formula C14H30IN3O2 and a molecular weight of 399.32 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111153374
Molecular FormulaC14H30IN3O2
Molecular Weight399.32 g/mol
Exact Mass399.14
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCOCCOC)N1CC(C)CC(C)C1.I
InChIInChI=1S/C14H29N3O2.HI/c1-12-9-13(2)11-17(10-12)14(15-3)16-5-6-19-8-7-18-4;/h12-13H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyYPGRQIIMDXDBSZ-UHFFFAOYSA-N
XLogP1.82
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2-methoxyethoxy)ethyl]-N'-methyl-3-pentan-3-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111744096
N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111145255
N-(4-ethoxybutyl)-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111154220
N-(2-methoxyethyl)-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211562
N-[2-[(2-methoxyphenyl)methoxy]ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 109401264
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201
N-[2-(2-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
2-[[(3,5-dimethylpiperidin-1-yl)-(ethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111154586
2-ethyl-N-[3-(2-methoxyethoxy)propyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485939
ethyl 1-[N-[2-(2-methoxyethoxy)ethyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110993343
N-(cyclopropylmethyl)-N',3,5-trimethylpiperidine-1-carboximidamide
CID 111154391
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111145605

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide (CID 111153374) is N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCOCCOC)N1CC(C)CC(C)C1.I.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is YPGRQIIMDXDBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.HI/c1-12-9-13(2)11-17(10-12)14(15-3)16-5-6-19-8-7-18-4;/h12-13H,5-11H2,1-4H3,(H,15,16);1H.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide?
N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 399.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111153374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).