N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C14H28IN3 — CID 111745157

IUPACN,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCC/N=C(\NCC)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C14H27N3.HI/c1-3-15-13(16-4-2)17-11-10-14(12-17)8-6-5-7-9-14;/h3-12H2,1-2H3,(H,15,16);1H
InChIKeyPSJQNPYVZBXCPH-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.25
Rot. Bonds2

About N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 111745157) has the molecular formula C14H28IN3 and a molecular weight of 365.30 g/mol. Its IUPAC name is N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID111745157
Molecular FormulaC14H28IN3
Molecular Weight365.30 g/mol
Exact Mass365.13
IUPAC NameN,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCC/N=C(\NCC)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C14H27N3.HI/c1-3-15-13(16-4-2)17-11-10-14(12-17)8-6-5-7-9-14;/h3-12H2,1-2H3,(H,15,16);1H
InChIKeyPSJQNPYVZBXCPH-UHFFFAOYSA-N
XLogP3.25
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.25
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,N'-diethyl-2-azaspiro[4.5]decane-2-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

N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744296
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744491
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744525
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733871
N-ethyl-N'-(2-sulfamoylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733686
methyl 3-[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111733546
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745179
N'-(2-butoxyethyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733854
N-ethyl-N'-(3-methylsulfonylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732442
N'-(4-ethoxybutyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733162

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 111745157) is N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is CC/N=C(\NCC)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is PSJQNPYVZBXCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3.HI/c1-3-15-13(16-4-2)17-11-10-14(12-17)8-6-5-7-9-14;/h3-12H2,1-2H3,(H,15,16);1H.
What are the key properties of N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 365.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111745157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).