6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

C13H25N3O — CID 83255546

IUPAC6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CCN(C)CC
InChIInChI=1S/C13H25N3O/c1-4-6-11-14-13(7-8-13)12(17)16(11)10-9-15(3)5-2/h11,14H,4-10H2,1-3H3
InChIKeyKZXGOGUSWWAFCD-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.03
Rot. Bonds6

About 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one

6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83255546) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83255546
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCCCC1NC2(CC2)C(=O)N1CCN(C)CC
InChIInChI=1S/C13H25N3O/c1-4-6-11-14-13(7-8-13)12(17)16(11)10-9-15(3)5-2/h11,14H,4-10H2,1-3H3
InChIKeyKZXGOGUSWWAFCD-UHFFFAOYSA-N
XLogP1.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83255547
3-[4-(dimethylamino)butyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83246938
5-propyl-6-(3,3,3-trifluoropropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83254359
6-(4-methylpentyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83258164
3-[3-[methyl(propan-2-yl)amino]propyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 106053072
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
3-[2-[ethyl(methyl)amino]ethyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83254466
5-propyl-6-(5,5,5-trifluoropentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83260127
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
6-(cyclopentylmethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83244163
3-(2-methylsulfonylethyl)-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256534
6-(2-cyclohexyloxyethyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83264366

Frequently Asked Questions

What is the IUPAC name of 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83255546) is 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is CCCC1NC2(CC2)C(=O)N1CCN(C)CC.
What is the InChIKey of 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is KZXGOGUSWWAFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-6-11-14-13(7-8-13)12(17)16(11)10-9-15(3)5-2/h11,14H,4-10H2,1-3H3.
What are the key properties of 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one?
6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 239.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[ethyl(methyl)amino]ethyl]-5-propyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83255546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).