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

C18H34N2O — CID 107819249

IUPAC6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CCCCCCN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C18H34N2O/c1-14(2)9-7-5-6-8-12-20-16(13-15(3)4)19-18(10-11-18)17(20)21/h14-16,19H,5-13H2,1-4H3
InChIKeyHVCAYKRDVCHABA-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.93
Rot. Bonds9

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

6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 107819249) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID107819249
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CCCCCCN1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C18H34N2O/c1-14(2)9-7-5-6-8-12-20-16(13-15(3)4)19-18(10-11-18)17(20)21/h14-16,19H,5-13H2,1-4H3
InChIKeyHVCAYKRDVCHABA-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.93
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

5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
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
5-ethyl-5-methyl-3-(5-methylhexyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83260603
2-(2-methylpropyl)-3-(3-methylsulfonylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83245792
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
6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819310
5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270788
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83253151
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925

Frequently Asked Questions

What is the IUPAC name of 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 107819249) is 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CCCCCCN1C(=O)C2(CC2)NC1CC(C)C.
What is the InChIKey of 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is HVCAYKRDVCHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-14(2)9-7-5-6-8-12-20-16(13-15(3)4)19-18(10-11-18)17(20)21/h14-16,19H,5-13H2,1-4H3.
What are the key properties of 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 294.48 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 107819249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).