2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

C17H33IN4O2 — CID 110041963

IUPAC2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCCN/C(=N\CC(=O)N(C)C)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C17H32N4O2.HI/c1-20(2)15(22)13-19-16(18-10-12-23-3)21-11-9-17(14-21)7-5-4-6-8-17;/h4-14H2,1-3H3,(H,18,19);1H
InChIKeyOMHUMRDCAOIMSO-UHFFFAOYSA-N
MW452.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide

2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (PubChem CID 110041963) has the molecular formula C17H33IN4O2 and a molecular weight of 452.38 g/mol. Its IUPAC name is 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
PubChem CID110041963
Molecular FormulaC17H33IN4O2
Molecular Weight452.38 g/mol
Exact Mass452.16
IUPAC Name2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
SMILESCOCCN/C(=N\CC(=O)N(C)C)N1CCC2(CCCCC2)C1.I
InChIInChI=1S/C17H32N4O2.HI/c1-20(2)15(22)13-19-16(18-10-12-23-3)21-11-9-17(14-21)7-5-4-6-8-17;/h4-14H2,1-3H3,(H,18,19);1H
InChIKeyOMHUMRDCAOIMSO-UHFFFAOYSA-N
XLogP1.94
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111744356
2-[[(2-methoxyethylamino)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044406
2-[[6-azaspiro[3.4]octan-6-yl-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110046963
2-[[6-azaspiro[3.4]octan-6-yl-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046964
2-[[6-azaspiro[3.4]octan-6-yl-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046932
2-[[6-azaspiro[3.4]octan-6-yl-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046960
2-[[2-azaspiro[4.5]decan-2-yl-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110041968
2-[[C-(2-azaspiro[4.5]decan-2-yl)-N-methylcarbonimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119145369
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733208
N-ethyl-N'-(2-methoxyethyl)-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745160
2-[[(3-ethoxypropylamino)-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111421538
2-[[6-azaspiro[3.4]octan-6-yl-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046950

Frequently Asked Questions

What is the IUPAC name of 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The IUPAC name of 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide (CID 110041963) is 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide.
What is the SMILES notation for 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The canonical SMILES for 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is COCCN/C(=N\CC(=O)N(C)C)N1CCC2(CCCCC2)C1.I.
What is the InChIKey of 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
The InChIKey is OMHUMRDCAOIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.HI/c1-20(2)15(22)13-19-16(18-10-12-23-3)21-11-9-17(14-21)7-5-4-6-8-17;/h4-14H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide?
2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide has a molecular weight of 452.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide is sourced from PubChem (CID 110041963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).