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

C15H28N2O — CID 83252507

IUPAC6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCC(C)N1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C15H28N2O/c1-5-6-7-12(4)17-13(10-11(2)3)16-15(8-9-15)14(17)18/h11-13,16H,5-10H2,1-4H3
InChIKeyOVDIQBVKLQTOHD-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.90
Rot. Bonds6

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

6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83252507) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83252507
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCCC(C)N1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C15H28N2O/c1-5-6-7-12(4)17-13(10-11(2)3)16-15(8-9-15)14(17)18/h11-13,16H,5-10H2,1-4H3
InChIKeyOVDIQBVKLQTOHD-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83259165
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819310
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83253710
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
3-(3,3-dimethylbutan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104830781
3-heptan-2-yl-2-(2-methylpropyl)imidazolidin-4-one
CID 83253857

Frequently Asked Questions

What is the IUPAC name of 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83252507) is 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CCCCC(C)N1C(=O)C2(CC2)NC1CC(C)C.
What is the InChIKey of 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is OVDIQBVKLQTOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-6-7-12(4)17-13(10-11(2)3)16-15(8-9-15)14(17)18/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 252.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83252507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).