2-butyl-2,8-diazaspiro[4.5]decan-1-one

C12H22N2O — CID 117003109

IUPAC2-butyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCCCN1CCC2(CCNCC2)C1=O
InChIInChI=1S/C12H22N2O/c1-2-3-9-14-10-6-12(11(14)15)4-7-13-8-5-12/h13H,2-10H2,1H3
InChIKeyKIVDGUZTGQINFP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds3

About 2-butyl-2,8-diazaspiro[4.5]decan-1-one

2-butyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 117003109) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-butyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-butyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID117003109
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-butyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCCCCN1CCC2(CCNCC2)C1=O
InChIInChI=1S/C12H22N2O/c1-2-3-9-14-10-6-12(11(14)15)4-7-13-8-5-12/h13H,2-10H2,1H3
InChIKeyKIVDGUZTGQINFP-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-butyl-2,8-diazaspiro[4.5]decan-1-one (CID 117003109) is 2-butyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-butyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-butyl-2,8-diazaspiro[4.5]decan-1-one is CCCCN1CCC2(CCNCC2)C1=O.
What is the InChIKey of 2-butyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is KIVDGUZTGQINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-3-9-14-10-6-12(11(14)15)4-7-13-8-5-12/h13H,2-10H2,1H3.
What are the key properties of 2-butyl-2,8-diazaspiro[4.5]decan-1-one?
2-butyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 117003109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).