2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide

C15H20N2O4 — CID 79902453

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20N2O4/c16-14(17-18)12-3-1-2-4-13(12)21-11-5-7-20-15(9-11)6-8-19-10-15/h1-4,11,18H,5-10H2,(H2,16,17)
InChIKeySDFCXHMSQWHQCI-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.50
Rot. Bonds3

About 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide

2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 79902453) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
PubChem CID79902453
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1OC1CCOC2(CCOC2)C1
InChIInChI=1S/C15H20N2O4/c16-14(17-18)12-3-1-2-4-13(12)21-11-5-7-20-15(9-11)6-8-19-10-15/h1-4,11,18H,5-10H2,(H2,16,17)
InChIKeySDFCXHMSQWHQCI-UHFFFAOYSA-N
XLogP1.50
TPSA86.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-hydroxy-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarboximidamide
CID 114323370
1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-2-amine
CID 79908209
2-(5-oxaspiro[3.5]nonan-8-yloxy)benzenecarbothioamide
CID 79905444
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-fluorobenzenecarbothioamide
CID 79901370
9-(2,3-dimethylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 103432370
(1S)-1-[2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]propan-1-ol
CID 79899366
4-(2-bromophenoxy)-1,9-dioxaspiro[5.5]undecane
CID 79905383
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959
1-[5-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanone
CID 79901655
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-6-methylpyridin-2-amine
CID 79905053
3-(2,6-dioxaspiro[4.5]decan-9-yloxy)-4-methylbenzenecarboximidamide
CID 107657216

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide (CID 79902453) is 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccccc1OC1CCOC2(CCOC2)C1.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is SDFCXHMSQWHQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c16-14(17-18)12-3-1-2-4-13(12)21-11-5-7-20-15(9-11)6-8-19-10-15/h1-4,11,18H,5-10H2,(H2,16,17).
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide?
2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 292.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-yloxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 79902453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).