6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C12H22N2O — CID 83263250

IUPAC6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CCC(C)N1CNC2(CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-9(2)4-5-10(3)14-8-13-12(6-7-12)11(14)15/h9-10,13H,4-8H2,1-3H3
InChIKeyNUPGAVYARDAFBN-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.73
Rot. Bonds4

About 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263250) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263250
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CCC(C)N1CNC2(CC2)C1=O
InChIInChI=1S/C12H22N2O/c1-9(2)4-5-10(3)14-8-13-12(6-7-12)11(14)15/h9-10,13H,4-8H2,1-3H3
InChIKeyNUPGAVYARDAFBN-UHFFFAOYSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1,1-difluoropropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 130935250
6-octan-4-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 106021485
6-(1-cyclohexylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83255509
3,3-dimethyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971505
1-(5-methylhexan-2-yl)-1,3-diazinan-2-one
CID 115370924
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
3-ethyl-3-methyl-1-(5-methylhexan-2-yl)-1,4-diazepane-2,5-dione
CID 64971507
6-[(1-methylazetidin-3-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 130908995
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
3-methyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 59128621
6-[(1-methylcyclopentyl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83257758

Frequently Asked Questions

What is the IUPAC name of 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83263250) is 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CCC(C)N1CNC2(CC2)C1=O.
What is the InChIKey of 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is NUPGAVYARDAFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)4-5-10(3)14-8-13-12(6-7-12)11(14)15/h9-10,13H,4-8H2,1-3H3.
What are the key properties of 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 210.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylhexan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).