2,6-dioxaspiro[4.5]decane-9-carboximidamide

C9H16N2O2 — CID 79906061

IUPAC2,6-dioxaspiro[4.5]decane-9-carboximidamide
SMILES[H]/N=C(\N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C9H16N2O2/c10-8(11)7-1-3-13-9(5-7)2-4-12-6-9/h7H,1-6H2,(H3,10,11)
InChIKeyWPJOWKPDMYPVIM-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.51
Rot. Bonds1

About 2,6-dioxaspiro[4.5]decane-9-carboximidamide

2,6-dioxaspiro[4.5]decane-9-carboximidamide (PubChem CID 79906061) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decane-9-carboximidamide.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decane-9-carboximidamide
PubChem CID79906061
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2,6-dioxaspiro[4.5]decane-9-carboximidamide
SMILES[H]/N=C(\N)C1CCOC2(CCOC2)C1
InChIInChI=1S/C9H16N2O2/c10-8(11)7-1-3-13-9(5-7)2-4-12-6-9/h7H,1-6H2,(H3,10,11)
InChIKeyWPJOWKPDMYPVIM-UHFFFAOYSA-N
XLogP0.51
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116550718
(1-aminocyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 116550493
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760
2-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylbutan-1-one
CID 116548972
2,6-dioxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787850
2,6-dioxaspiro[4.5]decan-9-yl-(1-hydroxycyclopentyl)methanone
CID 103447799
2-amino-2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)propan-1-one
CID 116558477
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylcyclopropyl)methanone
CID 79920975
2,6-dioxaspiro[4.5]decan-9-yl-(2-methylfuran-3-yl)methanone
CID 104789251
(2-chlorofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 106691187
2-cyclopropyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxyethanone
CID 116709110
2,3-dihydro-1H-inden-2-yl(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 79909187

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decane-9-carboximidamide?
The IUPAC name of 2,6-dioxaspiro[4.5]decane-9-carboximidamide (CID 79906061) is 2,6-dioxaspiro[4.5]decane-9-carboximidamide.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decane-9-carboximidamide?
The canonical SMILES for 2,6-dioxaspiro[4.5]decane-9-carboximidamide is [H]/N=C(\N)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decane-9-carboximidamide?
The InChIKey is WPJOWKPDMYPVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-8(11)7-1-3-13-9(5-7)2-4-12-6-9/h7H,1-6H2,(H3,10,11).
What are the key properties of 2,6-dioxaspiro[4.5]decane-9-carboximidamide?
2,6-dioxaspiro[4.5]decane-9-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decane-9-carboximidamide is sourced from PubChem (CID 79906061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).