N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide

C21H34N4O2 — CID 111744333

IUPACN-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\Cc1ccc(OCCOC)nc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-3-22-20(25-12-11-21(17-25)9-5-4-6-10-21)24-16-18-7-8-19(23-15-18)27-14-13-26-2/h7-8,15H,3-6,9-14,16-17H2,1-2H3,(H,22,24)
InChIKeyWADIYJYAVMRDMU-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.23
Rot. Bonds7

About N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide

N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111744333) has the molecular formula C21H34N4O2 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111744333
Molecular FormulaC21H34N4O2
Molecular Weight374.53 g/mol
Exact Mass374.27
IUPAC NameN-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESCCN/C(=N\Cc1ccc(OCCOC)nc1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C21H34N4O2/c1-3-22-20(25-12-11-21(17-25)9-5-4-6-10-21)24-16-18-7-8-19(23-15-18)27-14-13-26-2/h7-8,15H,3-6,9-14,16-17H2,1-2H3,(H,22,24)
InChIKeyWADIYJYAVMRDMU-UHFFFAOYSA-N
XLogP3.23
TPSA58.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 111724401
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111732303
4-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111732974
N'-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733753
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745428
4-acetyl-N-ethyl-N'-[(6-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111547014
2-[4-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111745323
N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733557
N-ethyl-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733497
N-ethyl-N'-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide
CID 110955690
2-[3-[[[2-azaspiro[4.4]nonan-2-yl(ethylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 111995709

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 111744333) is N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide is CCN/C(=N\Cc1ccc(OCCOC)nc1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is WADIYJYAVMRDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O2/c1-3-22-20(25-12-11-21(17-25)9-5-4-6-10-21)24-16-18-7-8-19(23-15-18)27-14-13-26-2/h7-8,15H,3-6,9-14,16-17H2,1-2H3,(H,22,24).
What are the key properties of N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 374.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111744333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).