2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

C14H26N2O2 — CID 145297738

IUPAC2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCC(C)N1CC2(CN(CC(C)(C)C)C2)OCC1=O
InChIInChI=1S/C14H26N2O2/c1-11(2)16-10-14(18-6-12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyUZAWUBIUTLKIFU-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.35
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one

2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (PubChem CID 145297738) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
PubChem CID145297738
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one
SMILESCC(C)N1CC2(CN(CC(C)(C)C)C2)OCC1=O
InChIInChI=1S/C14H26N2O2/c1-11(2)16-10-14(18-6-12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3
InChIKeyUZAWUBIUTLKIFU-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 115067433
6-(aminomethyl)-4-(2,2-dimethylpropyl)-6-methylmorpholin-3-one
CID 115068043
4-propan-2-yl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
CID 14475486
7-propan-2-yl-2,5-dioxa-7-azaspiro[3.4]octan-6-one
CID 165131645
3-(2,3-dioxo-4-propan-2-ylpiperazin-1-yl)-2-hydroxy-2-methylpropanoic acid
CID 113463092
(2S)-9-(2,2-dimethylpropyl)-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 135374785
4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 84653847
(2S)-1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-hydroxypropan-1-one
CID 146606685
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
7-(2,2-dimethylpropyl)-2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonane
CID 159552741
1-(2,2-dimethylpropyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 58021036
6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
CID 115067596

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The IUPAC name of 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one (CID 145297738) is 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is CC(C)N1CC2(CN(CC(C)(C)C)C2)OCC1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
The InChIKey is UZAWUBIUTLKIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)16-10-14(18-6-12(16)17)8-15(9-14)7-13(3,4)5/h11H,6-10H2,1-5H3.
What are the key properties of 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one?
2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one has a molecular weight of 254.37 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-8-propan-2-yl-5-oxa-2,8-diazaspiro[3.5]nonan-7-one is sourced from PubChem (CID 145297738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).