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

C14H26N2O2 — CID 83259165

IUPAC6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCC(C)N1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C14H26N2O2/c1-10(2)9-12-15-14(6-7-14)13(17)16(12)11(3)5-8-18-4/h10-12,15H,5-9H2,1-4H3
InChIKeyPXHWQVVANGCVPF-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.75
Rot. Bonds6

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

6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83259165) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83259165
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCC(C)N1C(=O)C2(CC2)NC1CC(C)C
InChIInChI=1S/C14H26N2O2/c1-10(2)9-12-15-14(6-7-14)13(17)16(12)11(3)5-8-18-4/h10-12,15H,5-9H2,1-4H3
InChIKeyPXHWQVVANGCVPF-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83253710
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398
5-ethyl-6-(6-methylheptan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254085
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
3-(3,3-dimethylbutan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104830781
5-ethyl-6-(1-methoxy-3-methylbutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258737
6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 106053090
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83259165) is 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is COCCC(C)N1C(=O)C2(CC2)NC1CC(C)C.
What is the InChIKey of 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is PXHWQVVANGCVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(2)9-12-15-14(6-7-14)13(17)16(12)11(3)5-8-18-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 254.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83259165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).