N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

C16H31N3O2 — CID 111733557

IUPACN-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CCOCCOC)N1CCC2(CCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-3-17-15(18-9-11-21-13-12-20-2)19-10-8-16(14-19)6-4-5-7-16/h3-14H2,1-2H3,(H,17,18)
InChIKeyLALVLFYBOWIIJB-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.88
Rot. Bonds7

About N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide

N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733557) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733557
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CCOCCOC)N1CCC2(CCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-3-17-15(18-9-11-21-13-12-20-2)19-10-8-16(14-19)6-4-5-7-16/h3-14H2,1-2H3,(H,17,18)
InChIKeyLALVLFYBOWIIJB-UHFFFAOYSA-N
XLogP1.88
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.88
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'}

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Related Compounds

N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N'-(2-butoxyethyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733854
methyl 3-[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111733546
N'-(4-ethoxybutyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733162
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732513
N-ethyl-N'-(2-methoxyethyl)-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739561
methyl 5-[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]pentanoate
CID 111744736
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733208
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733871
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733557) is N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is CCN/C(=N\CCOCCOC)N1CCC2(CCCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is LALVLFYBOWIIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-17-15(18-9-11-21-13-12-20-2)19-10-8-16(14-19)6-4-5-7-16/h3-14H2,1-2H3,(H,17,18).
What are the key properties of N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 297.44 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).