3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C14H26N2O2 — CID 70740474

IUPAC3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C)CC2)OC1=O
InChIInChI=1S/C14H26N2O2/c1-3-4-5-6-9-16-12-14(18-13(16)17)7-10-15(2)11-8-14/h3-12H2,1-2H3
InChIKeyPSJDJEJKTATZIF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.48
Rot. Bonds5

About 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70740474) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70740474
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCCCCCN1CC2(CCN(C)CC2)OC1=O
InChIInChI=1S/C14H26N2O2/c1-3-4-5-6-9-16-12-14(18-13(16)17)7-10-15(2)11-8-14/h3-12H2,1-2H3
InChIKeyPSJDJEJKTATZIF-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
8-[(1S,5R)-3-azabicyclo[3.1.0]hexane-6-carbonyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70713687
3-hexyl-8-[2-(4-hydroxypiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70765516
3-hexyl-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70774905
8-[(2-ethylpyrimidin-5-yl)methyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70707070
3-hexyl-8-(2-methylpyrimidine-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70776384
3-hexyl-8-(1-methylpyrazole-4-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70716389
3-(2-ethylbutyl)-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70725296
3-hexyl-8-[(2R)-2-hydroxy-2-phenylacetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70718560
3-hexyl-8-(2-methyl-1,3-thiazole-5-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70768749
4-[(3-hexyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)methyl]-1-methylpyrrole-2-carbonitrile
CID 70735007
8-methyl-3-[2-[methyl(2-methylpropyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70767297

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70740474) is 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCCCCN1CC2(CCN(C)CC2)OC1=O.
What is the InChIKey of 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is PSJDJEJKTATZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-4-5-6-9-16-12-14(18-13(16)17)7-10-15(2)11-8-14/h3-12H2,1-2H3.
What are the key properties of 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 254.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70740474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).