1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione

C16H24N2O2 — CID 79987584

IUPAC1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione
SMILESCC12CC3CC(C)(C1)CC(N1CCC(=O)NC1=O)(C3)C2
InChIInChI=1S/C16H24N2O2/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)18-4-3-12(19)17-13(18)20/h11H,3-10H2,1-2H3,(H,17,19,20)
InChIKeyFSHHISSNYUESFS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.68
Rot. Bonds1

About 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione

1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione (PubChem CID 79987584) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione
PubChem CID79987584
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione
SMILESCC12CC3CC(C)(C1)CC(N1CCC(=O)NC1=O)(C3)C2
InChIInChI=1S/C16H24N2O2/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)18-4-3-12(19)17-13(18)20/h11H,3-10H2,1-2H3,(H,17,19,20)
InChIKeyFSHHISSNYUESFS-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione (CID 79987584) is 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione is CC12CC3CC(C)(C1)CC(N1CCC(=O)NC1=O)(C3)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione?
The InChIKey is FSHHISSNYUESFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-14-5-11-6-15(2,8-14)10-16(7-11,9-14)18-4-3-12(19)17-13(18)20/h11H,3-10H2,1-2H3,(H,17,19,20).
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione?
1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione has a molecular weight of 276.38 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79987584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).