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

C15H29N3 — CID 111733329

IUPACN-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CC(C)C)N1CCC2(CCCC2)C1
InChIInChI=1S/C15H29N3/c1-4-16-14(17-11-13(2)3)18-10-9-15(12-18)7-5-6-8-15/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyOMTILIFZNFDWRZ-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.87
Rot. Bonds3

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

N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733329) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733329
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CC(C)C)N1CCC2(CCCC2)C1
InChIInChI=1S/C15H29N3/c1-4-16-14(17-11-13(2)3)18-10-9-15(12-18)7-5-6-8-15/h13H,4-12H2,1-3H3,(H,16,17)
InChIKeyOMTILIFZNFDWRZ-UHFFFAOYSA-N
XLogP2.87
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.87
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'}

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Related Compounds

N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733525
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-(2-fluorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111994717
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744296
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'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732934
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733557
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733329) is N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide is CCN/C(=N\CC(C)C)N1CCC2(CCCC2)C1.
What is the InChIKey of N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is OMTILIFZNFDWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-16-14(17-11-13(2)3)18-10-9-15(12-18)7-5-6-8-15/h13H,4-12H2,1-3H3,(H,16,17).
What are the key properties of N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide?
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 251.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).