N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C15H32IN3O2 — CID 111145255

IUPACN-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCOCCOC)N1CCCC(C)C1.I
InChIInChI=1S/C15H31N3O2.HI/c1-14-7-6-9-18(13-14)15(16-2)17-8-4-5-10-20-12-11-19-3;/h14H,4-13H2,1-3H3,(H,16,17);1H
InChIKeyCEJLVTFNVYSNMS-UHFFFAOYSA-N
MW413.34 g/mol
LogP2.35
Rot. Bonds8

About N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111145255) has the molecular formula C15H32IN3O2 and a molecular weight of 413.34 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111145255
Molecular FormulaC15H32IN3O2
Molecular Weight413.34 g/mol
Exact Mass413.15
IUPAC NameN-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCCCOCCOC)N1CCCC(C)C1.I
InChIInChI=1S/C15H31N3O2.HI/c1-14-7-6-9-18(13-14)15(16-2)17-8-4-5-10-20-12-11-19-3;/h14H,4-13H2,1-3H3,(H,16,17);1H
InChIKeyCEJLVTFNVYSNMS-UHFFFAOYSA-N
XLogP2.35
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 52.35
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-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
N-[4-(2-methoxyethoxy)butyl]-3-(2-methoxyethoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 111745993
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 111404802
N',3-dimethyl-N-[4-(3-methylpiperidin-1-yl)butyl]piperidine-1-carboximidamide
CID 111143864
3-(2-methoxyethoxymethyl)-N-[3-(2-methoxyethoxy)propyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111747201
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111145605
N-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144043
3-(2-methoxyethoxymethyl)-N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111748072
N-[2-(2-methoxyethoxy)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153374
N',3-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111143715
methyl 3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate
CID 111145348

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111145255) is N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCCCOCCOC)N1CCCC(C)C1.I.
What is the InChIKey of N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is CEJLVTFNVYSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2.HI/c1-14-7-6-9-18(13-14)15(16-2)17-8-4-5-10-20-12-11-19-3;/h14H,4-13H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 413.34 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)butyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111145255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).