6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H25N3O — CID 83248007

IUPAC6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2CCN(C)C)c(C)c1
InChIInChI=1S/C17H25N3O/c1-12-5-6-14(13(2)11-12)15-18-17(7-8-17)16(21)20(15)10-9-19(3)4/h5-6,11,15,18H,7-10H2,1-4H3
InChIKeyHGDAQNRLBOJOHX-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.83
Rot. Bonds4

About 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83248007) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83248007
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCc1ccc(C2NC3(CC3)C(=O)N2CCN(C)C)c(C)c1
InChIInChI=1S/C17H25N3O/c1-12-5-6-14(13(2)11-12)15-18-17(7-8-17)16(21)20(15)10-9-19(3)4/h5-6,11,15,18H,7-10H2,1-4H3
InChIKeyHGDAQNRLBOJOHX-UHFFFAOYSA-N
XLogP1.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl]-2-(2,4-dimethylphenyl)imidazolidin-4-one
CID 83251335
6-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248015
6-[3-(dimethylamino)propyl]-5-(2-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83245466
6-(1-cyclopropylethyl)-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248567
6-(2-cyclopropylethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268642
6-(2-ethoxyethyl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83237372
2-(2,4-dimethylphenyl)-5-ethyl-3,5-dimethylimidazolidin-4-one
CID 83259966
5-(4-chlorophenyl)-6-[2-[ethyl(methyl)amino]ethyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83253608
6-(2-cyclopropylethyl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268444
3-[3-(dimethylamino)propyl]-2-thiophen-3-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83245439
5-(2-fluorophenyl)-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242531
5-phenyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242074

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83248007) is 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is Cc1ccc(C2NC3(CC3)C(=O)N2CCN(C)C)c(C)c1.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is HGDAQNRLBOJOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-5-6-14(13(2)11-12)15-18-17(7-8-17)16(21)20(15)10-9-19(3)4/h5-6,11,15,18H,7-10H2,1-4H3.
What are the key properties of 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 287.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-5-(2,4-dimethylphenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83248007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).