N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide

C15H29N3O — CID 111745160

IUPACN-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CCOC)N1CCC2(CCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-16-14(17-10-12-19-2)18-11-9-15(13-18)7-5-4-6-8-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyNKYYTECDKMCTHL-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.25
Rot. Bonds4

About N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide

N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111745160) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111745160
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\CCOC)N1CCC2(CCCCC2)C1
InChIInChI=1S/C15H29N3O/c1-3-16-14(17-10-12-19-2)18-11-9-15(13-18)7-5-4-6-8-15/h3-13H2,1-2H3,(H,16,17)
InChIKeyNKYYTECDKMCTHL-UHFFFAOYSA-N
XLogP2.25
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733557
N'-(2-butoxyethyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733854
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-(2-methoxyethyl)-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739561
methyl 3-[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]propanoate;hydroiodide
CID 111733546
methyl 5-[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]pentanoate
CID 111744736
N'-(4-ethoxybutyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733162
N-ethyl-N'-[2-[ethyl(methyl)amino]ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744525
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744491
N-ethyl-N'-(2-ethylsulfonylethyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733871
N-ethyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732513
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide (CID 111745160) is N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\CCOC)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is NKYYTECDKMCTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-16-14(17-10-12-19-2)18-11-9-15(13-18)7-5-4-6-8-15/h3-13H2,1-2H3,(H,16,17).
What are the key properties of N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide?
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 267.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111745160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).