1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione

C15H28N4O2 — CID 655377

IUPAC1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione
SMILESCN1C(=O)N(C)C2(CC1(C)C)CC(C)(C)N(C)C(=O)N2C
InChIInChI=1S/C15H28N4O2/c1-13(2)9-15(18(7)11(20)16(13)5)10-14(3,4)17(6)12(21)19(15)8/h9-10H2,1-8H3
InChIKeyUYVNCSCVKMYXBR-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.01
Rot. Bonds

About 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione

1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione (PubChem CID 655377) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione.

Molecular Properties

Compound Name1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione
PubChem CID655377
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione
SMILESCN1C(=O)N(C)C2(CC1(C)C)CC(C)(C)N(C)C(=O)N2C
InChIInChI=1S/C15H28N4O2/c1-13(2)9-15(18(7)11(20)16(13)5)10-14(3,4)17(6)12(21)19(15)8/h9-10H2,1-8H3
InChIKeyUYVNCSCVKMYXBR-UHFFFAOYSA-N
XLogP2.01
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione?
The IUPAC name of 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione (CID 655377) is 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione.
What is the SMILES notation for 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione?
The canonical SMILES for 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione is CN1C(=O)N(C)C2(CC1(C)C)CC(C)(C)N(C)C(=O)N2C.
What is the InChIKey of 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione?
The InChIKey is UYVNCSCVKMYXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-13(2)9-15(18(7)11(20)16(13)5)10-14(3,4)17(6)12(21)19(15)8/h9-10H2,1-8H3.
What are the key properties of 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione?
1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione has a molecular weight of 296.42 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,4,7,9,10,10-octamethyl-1,3,7,9-tetrazaspiro[5.5]undecane-2,8-dione is sourced from PubChem (CID 655377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).