2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C14H24N4O2 — CID 131903082

IUPAC2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C3CCCOC3)CC2)C(=O)N1
InChIInChI=1S/C14H24N4O2/c1-17(2)13-15-12(19)14(16-13)5-7-18(8-6-14)11-4-3-9-20-10-11/h11H,3-10H2,1-2H3,(H,15,16,19)
InChIKeyFEQGKKYZEGKZIA-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.05
Rot. Bonds1

About 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131903082) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID131903082
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(C3CCCOC3)CC2)C(=O)N1
InChIInChI=1S/C14H24N4O2/c1-17(2)13-15-12(19)14(16-13)5-7-18(8-6-14)11-4-3-9-20-10-11/h11H,3-10H2,1-2H3,(H,15,16,19)
InChIKeyFEQGKKYZEGKZIA-UHFFFAOYSA-N
XLogP0.05
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Butyl 2-morpholin-4-yl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxylate
CID 46984062
2-(Dimethylamino)-8-(2-ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 124212846
2-(dimethylamino)-8-[[(3R)-oxan-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 129614522
2-(dimethylamino)-8-[[(3S)-oxan-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 129614523
2-(dimethylamino)-8-[[(3R)-oxolan-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 129619370
2-(dimethylamino)-8-[[(3S)-oxolan-3-yl]methyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 129619371
2-Amino-8-(ethoxyacetyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131890887
2-(dimethylamino)-8-(tetrahydro-2H-pyran-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131912609
2-(Dimethylamino)-8-(2-morpholin-4-ylethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131916961
2-(Dimethylamino)-8-(tetrahydrofuran-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131930278
2-(dimethylamino)-8-{2-[rac-(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl}-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 132424488
8-Ethyl-2-(2-methoxyethylimino)-1,3,8-triazaspiro[4.5]decan-4-one
CID 136306875

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131903082) is 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(C3CCCOC3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is FEQGKKYZEGKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(2)13-15-12(19)14(16-13)5-7-18(8-6-14)11-4-3-9-20-10-11/h11H,3-10H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 280.37 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(oxan-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131903082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).