3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one

C14H26N2O — CID 12581001

IUPAC3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC(C)N1CC(C)(C)NC(=O)C12CCCCC2
InChIInChI=1S/C14H26N2O/c1-11(2)16-10-13(3,4)15-12(17)14(16)8-6-5-7-9-14/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyXGTLOLFMILZIEN-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.31
Rot. Bonds1

About 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one

3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 12581001) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID12581001
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC(C)N1CC(C)(C)NC(=O)C12CCCCC2
InChIInChI=1S/C14H26N2O/c1-11(2)16-10-13(3,4)15-12(17)14(16)8-6-5-7-9-14/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyXGTLOLFMILZIEN-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one (CID 12581001) is 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one is CC(C)N1CC(C)(C)NC(=O)C12CCCCC2.
What is the InChIKey of 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is XGTLOLFMILZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)16-10-13(3,4)15-12(17)14(16)8-6-5-7-9-14/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one?
3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 238.37 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-propan-2-yl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 12581001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).