8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane

C12H21NO3 — CID 103738480

IUPAC8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1COCC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H21NO3/c1-2-11(10-14-7-1)13-5-3-12(4-6-13)15-8-9-16-12/h11H,1-10H2
InChIKeyXLKYESXTXGWEHV-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.00
Rot. Bonds1

About 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 103738480) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID103738480
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESC1COCC(N2CCC3(CC2)OCCO3)C1
InChIInChI=1S/C12H21NO3/c1-2-11(10-14-7-1)13-5-3-12(4-6-13)15-8-9-16-12/h11H,1-10H2
InChIKeyXLKYESXTXGWEHV-UHFFFAOYSA-N
XLogP1.00
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
4-methyl-1-[(3R)-oxan-3-yl]piperidine
CID 126716470
4-methyl-1-(oxan-3-yl)piperidine-4-carbothioamide
CID 107161415
(12R,23R)-14,21-dioxa-1,8-diazatricyclo[21.3.0.08,12]hexacosane
CID 141070274
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)thiolane 1,1-dioxide
CID 78981307
1-cyclopropyl-4-(1,4-dioxaspiro[4.5]decan-8-yl)piperazine
CID 131872684
8-(3,3,4,4-tetramethylcyclopentyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58930693
N-(cyclopropylmethyl)-1-(oxan-3-yl)piperidin-4-amine
CID 115306885
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexan-1-ol
CID 86594080
trans-(1R,2R)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclopentan-1-ol
CID 126846526
1-(oxolan-3-yl)piperidin-4-amine
CID 63333556
2-(oxolan-3-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 115826067

Frequently Asked Questions

What is the IUPAC name of 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 103738480) is 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane is C1COCC(N2CCC3(CC2)OCCO3)C1.
What is the InChIKey of 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XLKYESXTXGWEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-11(10-14-7-1)13-5-3-12(4-6-13)15-8-9-16-12/h11H,1-10H2.
What are the key properties of 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 227.30 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(oxan-3-yl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 103738480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).