N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

C14H30IN3 — CID 111983728

IUPACN-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)CN/C(=N\C)N1CCCC(C)C1.I
InChIInChI=1S/C14H29N3.HI/c1-5-13(6-2)10-16-14(15-4)17-9-7-8-12(3)11-17;/h12-13H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyBHFIXARUPJRYNL-UHFFFAOYSA-N
MW367.32 g/mol
LogP3.35
Rot. Bonds4

About N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide

N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111983728) has the molecular formula C14H30IN3 and a molecular weight of 367.32 g/mol. Its IUPAC name is N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111983728
Molecular FormulaC14H30IN3
Molecular Weight367.32 g/mol
Exact Mass367.15
IUPAC NameN-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESCCC(CC)CN/C(=N\C)N1CCCC(C)C1.I
InChIInChI=1S/C14H29N3.HI/c1-5-13(6-2)10-16-14(15-4)17-9-7-8-12(3)11-17;/h12-13H,5-11H2,1-4H3,(H,15,16);1H
InChIKeyBHFIXARUPJRYNL-UHFFFAOYSA-N
XLogP3.35
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

Analyze N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-methyl-3-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]propanoate;hydroiodide
CID 111144955
3-(ethoxymethyl)-N-(2-ethylbutyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111998274
N',3-dimethyl-N-(2-methylcyclopropyl)piperidine-1-carboximidamide;hydroiodide
CID 111144201
N-(2-ethylbutyl)-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111994700
N',3-dimethyl-N-[2-(3-methylbutoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111145605
N-[2-(2-butoxyethoxy)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111499230
N',3-dimethyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111143745
N',3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111145115
N',3-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]piperidine-1-carboximidamide;hydroiodide
CID 111143715
N-[2-(diethylsulfamoyl)ethyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111979734
N-(2-ethylbutyl)-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111996230
N-(2-ethylbutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111996150

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 111983728) is N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is CCC(CC)CN/C(=N\C)N1CCCC(C)C1.I.
What is the InChIKey of N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is BHFIXARUPJRYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3.HI/c1-5-13(6-2)10-16-14(15-4)17-9-7-8-12(3)11-17;/h12-13H,5-11H2,1-4H3,(H,15,16);1H.
What are the key properties of N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 367.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111983728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).