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

C15H26N4O2 — CID 131912609

IUPAC2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CC3CCCOC3)CC2)C(=O)N1
InChIInChI=1S/C15H26N4O2/c1-18(2)14-16-13(20)15(17-14)5-7-19(8-6-15)10-12-4-3-9-21-11-12/h12H,3-11H2,1-2H3,(H,16,17,20)
InChIKeyBYFKVURMPBWCIG-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.29
Rot. Bonds2

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

2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 131912609) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID131912609
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN(C)C1=NC2(CCN(CC3CCCOC3)CC2)C(=O)N1
InChIInChI=1S/C15H26N4O2/c1-18(2)14-16-13(20)15(17-14)5-7-19(8-6-15)10-12-4-3-9-21-11-12/h12H,3-11H2,1-2H3,(H,16,17,20)
InChIKeyBYFKVURMPBWCIG-UHFFFAOYSA-N
XLogP0.29
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-5-methyl-5-(2-methylpropyl)-3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]imidazol-4-one
CID 57844578
2-Amino-5-methyl-5-(2-methylpropyl)-3-[2-(oxan-4-yl)ethyl]imidazol-4-one
CID 57845050
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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 131912609) is 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN(C)C1=NC2(CCN(CC3CCCOC3)CC2)C(=O)N1.
What is the InChIKey of 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is BYFKVURMPBWCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18(2)14-16-13(20)15(17-14)5-7-19(8-6-15)10-12-4-3-9-21-11-12/h12H,3-11H2,1-2H3,(H,16,17,20).
What are the key properties of 2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(dimethylamino)-8-(oxan-3-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 294.40 g/mol, XLogP of 0.29, 2 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-ylmethyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 131912609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).