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

C14H24N4O2 — CID 131930278

IUPAC2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CC3CCOC3)CC2)C(=O)N1
InChIInChI=1S/C14H24N4O2/c1-17(2)13-15-12(19)14(16-13)4-6-18(7-5-14)9-11-3-8-20-10-11/h11H,3-10H2,1-2H3,(H,15,16,19)
InChIKeyBWAIXGNAXKOHCP-UHFFFAOYSA-N
MW280.37 g/mol
LogP-0.10
Rot. Bonds2

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

2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131930278) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID131930278
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CC3CCOC3)CC2)C(=O)N1
InChIInChI=1S/C14H24N4O2/c1-17(2)13-15-12(19)14(16-13)4-6-18(7-5-14)9-11-3-8-20-10-11/h11H,3-10H2,1-2H3,(H,15,16,19)
InChIKeyBWAIXGNAXKOHCP-UHFFFAOYSA-N
XLogP-0.10
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 108416487
2-(Tert-butylamino)-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 108416497
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 112425520
2-[[[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 112425521
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-(dimethylamino)-8-(tetrahydro-2H-pyran-3-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 131903082
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
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-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131930278) is 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(CC3CCOC3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BWAIXGNAXKOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-17(2)13-15-12(19)14(16-13)4-6-18(7-5-14)9-11-3-8-20-10-11/h11H,3-10H2,1-2H3,(H,15,16,19).
What are the key properties of 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 280.37 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-(oxolan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131930278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).