6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H32N2O — CID 107819310

IUPAC6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCC(CC)CN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C17H32N2O/c1-5-7-8-14(6-2)12-19-15(11-13(3)4)18-17(9-10-17)16(19)20/h13-15,18H,5-12H2,1-4H3
InChIKeyXWWILURHDMJNBG-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.54
Rot. Bonds8

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

6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 107819310) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID107819310
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCC(CC)CN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C17H32N2O/c1-5-7-8-14(6-2)12-19-15(11-13(3)4)18-17(9-10-17)16(19)20/h13-15,18H,5-12H2,1-4H3
InChIKeyXWWILURHDMJNBG-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270788
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
9-(2-ethylhexyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64885340
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 106053090
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104767782

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 107819310) is 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CCCCC(CC)CN1C(=O)C2(CC2)NC1CC(C)C.
What is the InChIKey of 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is XWWILURHDMJNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-7-8-14(6-2)12-19-15(11-13(3)4)18-17(9-10-17)16(19)20/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.46 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 107819310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).