N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

C18H31IN4O — CID 119145309

IUPACN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1c(C)noc1C)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C18H30N4O.HI/c1-4-19-17(20-12-16-14(2)21-23-15(16)3)22-11-10-18(13-22)8-6-5-7-9-18;/h4-13H2,1-3H3,(H,19,20);1H
InChIKeyLOQYLNNCJAQDEB-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.03
Rot. Bonds3

About N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide

N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (PubChem CID 119145309) has the molecular formula C18H31IN4O and a molecular weight of 446.38 g/mol. Its IUPAC name is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
PubChem CID119145309
Molecular FormulaC18H31IN4O
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC NameN'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1c(C)noc1C)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C18H30N4O.HI/c1-4-19-17(20-12-16-14(2)21-23-15(16)3)22-11-10-18(13-22)8-6-5-7-9-18;/h4-13H2,1-3H3,(H,19,20);1H
InChIKeyLOQYLNNCJAQDEB-UHFFFAOYSA-N
XLogP4.03
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-(2-oxo-2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744296
N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744322
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide
CID 102559012
N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744883
N'-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-ethyl-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490904
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-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744855
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745428

Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The IUPAC name of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide (CID 119145309) is N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The canonical SMILES for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is CCN/C(=N\Cc1c(C)noc1C)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
The InChIKey is LOQYLNNCJAQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.HI/c1-4-19-17(20-12-16-14(2)21-23-15(16)3)22-11-10-18(13-22)8-6-5-7-9-18;/h4-13H2,1-3H3,(H,19,20);1H.
What are the key properties of N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide?
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide has a molecular weight of 446.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 119145309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).