1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

C15H28N2O — CID 134907457

IUPAC1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1(C)CN(C(C)(C)C)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C15H28N2O/c1-13(2,3)17-11-14(4,5)16-12(18)15(17)9-7-6-8-10-15/h6-11H2,1-5H3,(H,16,18)
InChIKeyXRNRMSREGJOOCE-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.70
Rot. Bonds

About 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one

1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (PubChem CID 134907457) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
PubChem CID134907457
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one
SMILESCC1(C)CN(C(C)(C)C)C2(CCCCC2)C(=O)N1
InChIInChI=1S/C15H28N2O/c1-13(2,3)17-11-14(4,5)16-12(18)15(17)9-7-6-8-10-15/h6-11H2,1-5H3,(H,16,18)
InChIKeyXRNRMSREGJOOCE-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one (CID 134907457) is 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is CC1(C)CN(C(C)(C)C)C2(CCCCC2)C(=O)N1.
What is the InChIKey of 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
The InChIKey is XRNRMSREGJOOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-13(2,3)17-11-14(4,5)16-12(18)15(17)9-7-6-8-10-15/h6-11H2,1-5H3,(H,16,18).
What are the key properties of 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one?
1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one has a molecular weight of 252.40 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-dimethyl-1,4-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134907457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).