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

C17H32N2O — CID 83260540

IUPAC5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCCCCCN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C17H32N2O/c1-4-5-6-7-8-9-12-19-15(13-14(2)3)18-17(10-11-17)16(19)20/h14-15,18H,4-13H2,1-3H3
InChIKeySQYALAOWRWUAKK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.68
Rot. Bonds9

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

5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83260540) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83260540
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCCCCCN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C17H32N2O/c1-4-5-6-7-8-9-12-19-15(13-14(2)3)18-17(10-11-17)16(19)20/h14-15,18H,4-13H2,1-3H3
InChIKeySQYALAOWRWUAKK-UHFFFAOYSA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 106053090
6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819310
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119
5-cyclopentyl-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83270056
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83260540) is 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one is CCCCCCCCN1C(=O)C2(CC2)NC1CC(C)C.
What is the InChIKey of 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is SQYALAOWRWUAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-5-6-7-8-9-12-19-15(13-14(2)3)18-17(10-11-17)16(19)20/h14-15,18H,4-13H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one?
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.46 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83260540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).