5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one

C13H24N2O2 — CID 114137001

IUPAC5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)OCCCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C13H24N2O2/c1-10(2)17-9-5-4-8-15-11(3)14-13(6-7-13)12(15)16/h10-11,14H,4-9H2,1-3H3
InChIKeyUTLRUGDIGSOGIY-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.50
Rot. Bonds6

About 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one

5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 114137001) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID114137001
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)OCCCCN1C(=O)C2(CC2)NC1C
InChIInChI=1S/C13H24N2O2/c1-10(2)17-9-5-4-8-15-11(3)14-13(6-7-13)12(15)16/h10-11,14H,4-9H2,1-3H3
InChIKeyUTLRUGDIGSOGIY-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
5-methyl-6-[2-(3-methylbutoxy)ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83251969
5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241893
3-[4-(dimethylamino)butyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83247462
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
6-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83255006
5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114173990
3-ethyl-6-methyl-1-(4-propan-2-yloxybutyl)piperazine-2,5-dione
CID 106009140
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
2-cyclopentyl-3-(4-propan-2-yloxybutyl)imidazolidin-4-one
CID 106011110
2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244839

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 114137001) is 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)OCCCCN1C(=O)C2(CC2)NC1C.
What is the InChIKey of 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is UTLRUGDIGSOGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)17-9-5-4-8-15-11(3)14-13(6-7-13)12(15)16/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 240.35 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(4-propan-2-yloxybutyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 114137001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).