4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide

C13H23N3O4 — CID 79905548

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C2CCOC3(CCOC3)C2)CCO1
InChIInChI=1S/C13H23N3O4/c14-12(15-17)11-8-16(3-6-19-11)10-1-4-20-13(7-10)2-5-18-9-13/h10-11,17H,1-9H2,(H2,14,15)
InChIKeyHZEINGSOVIVYNG-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.23
Rot. Bonds2

About 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide

4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide (PubChem CID 79905548) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide
PubChem CID79905548
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide
SMILESNC(=NO)C1CN(C2CCOC3(CCOC3)C2)CCO1
InChIInChI=1S/C13H23N3O4/c14-12(15-17)11-8-16(3-6-19-11)10-1-4-20-13(7-10)2-5-18-9-13/h10-11,17H,1-9H2,(H2,14,15)
InChIKeyHZEINGSOVIVYNG-UHFFFAOYSA-N
XLogP-0.23
TPSA89.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

(3S)-1-(2,6-dioxaspiro[4.5]decan-9-yl)pyrrolidin-3-amine
CID 115302425
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpyrrolidin-3-amine
CID 115300476
[1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-4-yl]methanol
CID 79919762
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894208
4-(1,1-dioxothiolan-3-yl)-N'-hydroxymorpholine-2-carboximidamide
CID 79681148
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,4-dimethylpiperidin-4-amine
CID 115304909
1-(2,6-dioxaspiro[4.5]decan-9-yl)piperidine-4-carbonitrile
CID 79903651
2-[1-(2,6-dioxaspiro[4.5]decan-9-yl)azetidin-3-yl]acetic acid
CID 79893611
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide (CID 79905548) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide is NC(=NO)C1CN(C2CCOC3(CCOC3)C2)CCO1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide?
The InChIKey is HZEINGSOVIVYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c14-12(15-17)11-8-16(3-6-19-11)10-1-4-20-13(7-10)2-5-18-9-13/h10-11,17H,1-9H2,(H2,14,15).
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide has a molecular weight of 285.34 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-N'-hydroxymorpholine-2-carboximidamide is sourced from PubChem (CID 79905548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).