1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one

C14H25NO3 — CID 131135319

IUPAC1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
SMILESCC(C)(C)C(C)(C)C(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C14H25NO3/c1-12(2,3)13(4,5)11(16)15-7-6-14(10-15)17-8-9-18-14/h6-10H2,1-5H3
InChIKeyITWHUZYNTTVMTO-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.03
Rot. Bonds1

About 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one

1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one (PubChem CID 131135319) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
PubChem CID131135319
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one
SMILESCC(C)(C)C(C)(C)C(=O)N1CCC2(C1)OCCO2
InChIInChI=1S/C14H25NO3/c1-12(2,3)13(4,5)11(16)15-7-6-14(10-15)17-8-9-18-14/h6-10H2,1-5H3
InChIKeyITWHUZYNTTVMTO-UHFFFAOYSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one with MolForge

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Related Compounds

1-{1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl}-3,3,3-trifluoro-2,2-dimethylpropan-1-one
CID 164652775
1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 71126805
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)-3-methylbutan-1-one
CID 131146716
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpentan-1-one
CID 72015992
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2-dimethylpropan-1-one
CID 130820415
1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl-(1-methylcyclopropyl)methanone
CID 130878235
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)-2,3-dimethylbutan-1-one
CID 130949860
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)butan-1-one
CID 130985542
2-Cyclobutyl-1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylpropan-1-one
CID 131166598
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 131201623
1-(1,4-Dioxa-7-azaspiro[4.4]nonan-7-yl)-2-methylbutan-1-one
CID 131218829

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one?
The IUPAC name of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one (CID 131135319) is 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one?
The canonical SMILES for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one is CC(C)(C)C(C)(C)C(=O)N1CCC2(C1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one?
The InChIKey is ITWHUZYNTTVMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-12(2,3)13(4,5)11(16)15-7-6-14(10-15)17-8-9-18-14/h6-10H2,1-5H3.
What are the key properties of 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one?
1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one has a molecular weight of 255.36 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-2,2,3,3-tetramethylbutan-1-one is sourced from PubChem (CID 131135319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).