1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one

C13H24N2O2 — CID 115067279

IUPAC1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESCC(C)(C)CN1C(=O)OCC12CCCNCC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)9-15-11(16)17-10-13(15)5-4-7-14-8-6-13/h14H,4-10H2,1-3H3
InChIKeyBAMFGHQMHHLXTI-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one

1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 115067279) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID115067279
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
SMILESCC(C)(C)CN1C(=O)OCC12CCCNCC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)9-15-11(16)17-10-13(15)5-4-7-14-8-6-13/h14H,4-10H2,1-3H3
InChIKeyBAMFGHQMHHLXTI-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tert-butyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84791054
9-Methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 65584077
9-Propan-2-yl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 65584283
9-Propyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 65585336
9-Ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 65586182
Tert-butyl 9-oxa-2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 83670212
Tert-butyl 9-oxa-2,6-diazaspiro[4.6]undecane-6-carboxylate
CID 83670214
Tert-butyl 4-amino-4-(methoxymethyl)azepane-1-carboxylate
CID 83913242
3-Oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 84765780
1-Methyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 84769432
1-Ethyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 84774948
1-Cyclopropyl-3-oxa-1,9-diazaspiro[4.6]undecan-2-one
CID 84781296

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one (CID 115067279) is 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one is CC(C)(C)CN1C(=O)OCC12CCCNCC2.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is BAMFGHQMHHLXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)9-15-11(16)17-10-13(15)5-4-7-14-8-6-13/h14H,4-10H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one?
1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 240.35 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-oxa-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 115067279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).