4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide

C15H27N3O2 — CID 102898334

IUPAC4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CC2CCC3(CCCCC3)O2)CCO1
InChIInChI=1S/C15H27N3O2/c16-14(17)13-11-18(8-9-19-13)10-12-4-7-15(20-12)5-2-1-3-6-15/h12-13H,1-11H2,(H3,16,17)
InChIKeyDOOHYXMFASHTIN-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.51
Rot. Bonds3

About 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide

4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide (PubChem CID 102898334) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
PubChem CID102898334
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(CC2CCC3(CCCCC3)O2)CCO1
InChIInChI=1S/C15H27N3O2/c16-14(17)13-11-18(8-9-19-13)10-12-4-7-15(20-12)5-2-1-3-6-15/h12-13H,1-11H2,(H3,16,17)
InChIKeyDOOHYXMFASHTIN-UHFFFAOYSA-N
XLogP1.51
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(1-Oxaspiro[5.5]undecan-4-yl)morpholine-2-carboximidamide
CID 79905341
4-(6-Oxaspiro[4.5]decan-9-yl)morpholine-2-carboximidamide
CID 79905409
4-(2,6-Dioxaspiro[4.5]decan-9-yl)morpholine-2-carboximidamide
CID 79906428
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-2-carboximidamide
CID 102848164
[4-(1-Oxaspiro[4.5]decan-2-ylmethyl)morpholin-2-yl]methanamine
CID 102896458
N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898272
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 102898274
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-N'-hydroxypropanimidamide
CID 102898276
N'-hydroxy-2-methyl-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanimidamide
CID 102898278
N'-hydroxy-3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanimidamide
CID 102898292
N'-hydroxy-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898298
N'-hydroxy-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine-3-carboximidamide
CID 102898299

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide?
The IUPAC name of 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide (CID 102898334) is 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide.
What is the SMILES notation for 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide?
The canonical SMILES for 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(CC2CCC3(CCCCC3)O2)CCO1.
What is the InChIKey of 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide?
The InChIKey is DOOHYXMFASHTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c16-14(17)13-11-18(8-9-19-13)10-12-4-7-15(20-12)5-2-1-3-6-15/h12-13H,1-11H2,(H3,16,17).
What are the key properties of 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide?
4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide has a molecular weight of 281.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.5]decan-2-ylmethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 102898334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).