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

C21H33N3O — CID 111733525

IUPACN-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CC(C)c1ccccc1OC)N1CCC2(CCCC2)C1
InChIInChI=1S/C21H33N3O/c1-4-22-20(24-14-13-21(16-24)11-7-8-12-21)23-15-17(2)18-9-5-6-10-19(18)25-3/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3,(H,22,23)
InChIKeyUYNJMIFIXAREIG-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.03
Rot. Bonds5

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

N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide (PubChem CID 111733525) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
PubChem CID111733525
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
SMILESCCN/C(=N\CC(C)c1ccccc1OC)N1CCC2(CCCC2)C1
InChIInChI=1S/C21H33N3O/c1-4-22-20(24-14-13-21(16-24)11-7-8-12-21)23-15-17(2)18-9-5-6-10-19(18)25-3/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3,(H,22,23)
InChIKeyUYNJMIFIXAREIG-UHFFFAOYSA-N
XLogP4.03
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.03
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'}

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Related Compounds

N-ethyl-N'-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111994717
N-ethyl-N'-(2-methylpropyl)-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733329
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733903
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733902
N'-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111996519
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425735
N'-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732706
N'-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111732934
N,N'-diethyl-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745157
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733557
1-butan-2-yl-3-ethyl-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 110945323

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide (CID 111733525) is N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide is CCN/C(=N\CC(C)c1ccccc1OC)N1CCC2(CCCC2)C1.
What is the InChIKey of N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
The InChIKey is UYNJMIFIXAREIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-22-20(24-14-13-21(16-24)11-7-8-12-21)23-15-17(2)18-9-5-6-10-19(18)25-3/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3,(H,22,23).
What are the key properties of N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide?
N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide has a molecular weight of 343.52 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(2-methoxyphenyl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide is sourced from PubChem (CID 111733525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).