4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one

C15H28N2O — CID 20564925

IUPAC4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCCC2)NC(C)(C)C1=O
InChIInChI=1S/C15H28N2O/c1-4-5-11-17-12-15(9-7-6-8-10-15)16-14(2,3)13(17)18/h16H,4-12H2,1-3H3
InChIKeyLYOJINNWQMUULX-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.70
Rot. Bonds3

About 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one

4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one (PubChem CID 20564925) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one
PubChem CID20564925
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one
SMILESCCCCN1CC2(CCCCC2)NC(C)(C)C1=O
InChIInChI=1S/C15H28N2O/c1-4-5-11-17-12-15(9-7-6-8-10-15)16-14(2,3)13(17)18/h16H,4-12H2,1-3H3
InChIKeyLYOJINNWQMUULX-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one (CID 20564925) is 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one is CCCCN1CC2(CCCCC2)NC(C)(C)C1=O.
What is the InChIKey of 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one?
The InChIKey is LYOJINNWQMUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-5-11-17-12-15(9-7-6-8-10-15)16-14(2,3)13(17)18/h16H,4-12H2,1-3H3.
What are the key properties of 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one?
4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one has a molecular weight of 252.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,2-dimethyl-1,4-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 20564925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).