10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one

C15H27NO — CID 176748354

IUPAC10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one
SMILESCN1CCC2(CCC(=O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H27NO/c1-14(2,3)12-11-15(6-5-13(12)17)7-9-16(4)10-8-15/h12H,5-11H2,1-4H3
InChIKeyKFTSFPWGWNESOD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds

About 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one

10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one (PubChem CID 176748354) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one.

Molecular Properties

Compound Name10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one
PubChem CID176748354
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one
SMILESCN1CCC2(CCC(=O)C(C(C)(C)C)C2)CC1
InChIInChI=1S/C15H27NO/c1-14(2,3)12-11-15(6-5-13(12)17)7-9-16(4)10-8-15/h12H,5-11H2,1-4H3
InChIKeyKFTSFPWGWNESOD-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one?
The IUPAC name of 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one (CID 176748354) is 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one.
What is the SMILES notation for 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one?
The canonical SMILES for 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one is CN1CCC2(CCC(=O)C(C(C)(C)C)C2)CC1.
What is the InChIKey of 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one?
The InChIKey is KFTSFPWGWNESOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-14(2,3)12-11-15(6-5-13(12)17)7-9-16(4)10-8-15/h12H,5-11H2,1-4H3.
What are the key properties of 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one?
10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one has a molecular weight of 237.39 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-3-methyl-3-azaspiro[5.5]undecan-9-one is sourced from PubChem (CID 176748354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).