2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide

C19H36N4O2 — CID 111744356

IUPAC2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H36N4O2/c1-4-25-14-8-12-20-18(21-15-17(24)22(2)3)23-13-11-19(16-23)9-6-5-7-10-19/h4-16H2,1-3H3,(H,20,21)
InChIKeyFCAGKAXWXGGEBU-UHFFFAOYSA-N
MW352.52 g/mol
LogP2.10
Rot. Bonds7

About 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111744356) has the molecular formula C19H36N4O2 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111744356
Molecular FormulaC19H36N4O2
Molecular Weight352.52 g/mol
Exact Mass352.28
IUPAC Name2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCOCCCN/C(=N\CC(=O)N(C)C)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H36N4O2/c1-4-25-14-8-12-20-18(21-15-17(24)22(2)3)23-13-11-19(16-23)9-6-5-7-10-19/h4-16H2,1-3H3,(H,20,21)
InChIKeyFCAGKAXWXGGEBU-UHFFFAOYSA-N
XLogP2.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 52.10
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'}

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Related Compounds

2-[[2-azaspiro[4.5]decan-2-yl-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110041963
2-[[(3-ethoxypropylamino)-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111421538
N-(3-ethoxypropyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111732993
2-[[6-azaspiro[3.4]octan-6-yl-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046964
N-(4-ethoxybutyl)-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733662
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-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-[[[3-(ethoxymethyl)pyrrolidin-1-yl]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042498
N'-(4-ethoxybutyl)-N-ethyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733162
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733208

Frequently Asked Questions

What is the IUPAC name of 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111744356) is 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide is CCOCCCN/C(=N\CC(=O)N(C)C)N1CCC2(CCCCC2)C1.
What is the InChIKey of 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is FCAGKAXWXGGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O2/c1-4-25-14-8-12-20-18(21-15-17(24)22(2)3)23-13-11-19(16-23)9-6-5-7-10-19/h4-16H2,1-3H3,(H,20,21).
What are the key properties of 2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[2-azaspiro[4.5]decan-2-yl-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 352.52 g/mol, XLogP of 2.10, 7 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-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111744356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).