1,3-ditert-butyl-1,3-diazinan-2-one

C12H24N2O — CID 22972483

IUPAC1,3-ditert-butyl-1,3-diazinan-2-one
SMILESCC(C)(C)N1CCCN(C(C)(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-11(2,3)13-8-7-9-14(10(13)15)12(4,5)6/h7-9H2,1-6H3
InChIKeyLMKHXQGPECMAJR-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.71
Rot. Bonds

About 1,3-ditert-butyl-1,3-diazinan-2-one

1,3-ditert-butyl-1,3-diazinan-2-one (PubChem CID 22972483) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1,3-ditert-butyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1,3-ditert-butyl-1,3-diazinan-2-one
PubChem CID22972483
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1,3-ditert-butyl-1,3-diazinan-2-one
SMILESCC(C)(C)N1CCCN(C(C)(C)C)C1=O
InChIInChI=1S/C12H24N2O/c1-11(2,3)13-8-7-9-14(10(13)15)12(4,5)6/h7-9H2,1-6H3
InChIKeyLMKHXQGPECMAJR-UHFFFAOYSA-N
XLogP2.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-ditert-butyl-1,3-diazinan-2-one?
The IUPAC name of 1,3-ditert-butyl-1,3-diazinan-2-one (CID 22972483) is 1,3-ditert-butyl-1,3-diazinan-2-one.
What is the SMILES notation for 1,3-ditert-butyl-1,3-diazinan-2-one?
The canonical SMILES for 1,3-ditert-butyl-1,3-diazinan-2-one is CC(C)(C)N1CCCN(C(C)(C)C)C1=O.
What is the InChIKey of 1,3-ditert-butyl-1,3-diazinan-2-one?
The InChIKey is LMKHXQGPECMAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-11(2,3)13-8-7-9-14(10(13)15)12(4,5)6/h7-9H2,1-6H3.
What are the key properties of 1,3-ditert-butyl-1,3-diazinan-2-one?
1,3-ditert-butyl-1,3-diazinan-2-one has a molecular weight of 212.34 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-ditert-butyl-1,3-diazinan-2-one is sourced from PubChem (CID 22972483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).