N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

C19H30IN3O — CID 111733248

IUPACN-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccc(OC)cc1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C19H29N3O.HI/c1-20-18(22-14-12-19(15-22)10-3-4-11-19)21-13-9-16-5-7-17(23-2)8-6-16;/h5-8H,3-4,9-15H2,1-2H3,(H,20,21);1H
InChIKeyRDEDJZKXYSKCEG-UHFFFAOYSA-N
MW443.37 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide

N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (PubChem CID 111733248) has the molecular formula C19H30IN3O and a molecular weight of 443.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
PubChem CID111733248
Molecular FormulaC19H30IN3O
Molecular Weight443.37 g/mol
Exact Mass443.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1ccc(OC)cc1)N1CCC2(CCCC2)C1.I
InChIInChI=1S/C19H29N3O.HI/c1-20-18(22-14-12-19(15-22)10-3-4-11-19)21-13-9-16-5-7-17(23-2)8-6-16;/h5-8H,3-4,9-15H2,1-2H3,(H,20,21);1H
InChIKeyRDEDJZKXYSKCEG-UHFFFAOYSA-N
XLogP3.70
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(4-methoxyphenyl)ethyl]-N',2,2-trimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488262
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744947
N'-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733821
N-[(3-methoxyphenyl)methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732371
N-[2-(4-methoxyphenyl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109452664
N-[3-[(4-methoxyphenyl)methoxy]propyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111740247
4-[(2,5-dimethoxyphenyl)methyl]-N-[2-(4-methoxyphenyl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111303104
N-[2-(4-methoxyphenyl)ethyl]-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 167881078
N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733201
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733218
N-benzyl-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732747
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111744445

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide (CID 111733248) is N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is C/N=C(\NCCc1ccc(OC)cc1)N1CCC2(CCCC2)C1.I.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
The InChIKey is RDEDJZKXYSKCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.HI/c1-20-18(22-14-12-19(15-22)10-3-4-11-19)21-13-9-16-5-7-17(23-2)8-6-16;/h5-8H,3-4,9-15H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide?
N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide has a molecular weight of 443.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide is sourced from PubChem (CID 111733248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).