2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one

C11H22N2O — CID 22959831

IUPAC2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one
SMILESCC1NC(C(C)(C)C)N(C)C(=O)C1C
InChIInChI=1S/C11H22N2O/c1-7-8(2)12-10(11(3,4)5)13(6)9(7)14/h7-8,10,12H,1-6H3
InChIKeySIUDHOPFIIPWER-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.44
Rot. Bonds

About 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one

2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one (PubChem CID 22959831) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one
PubChem CID22959831
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one
SMILESCC1NC(C(C)(C)C)N(C)C(=O)C1C
InChIInChI=1S/C11H22N2O/c1-7-8(2)12-10(11(3,4)5)13(6)9(7)14/h7-8,10,12H,1-6H3
InChIKeySIUDHOPFIIPWER-UHFFFAOYSA-N
XLogP1.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one?
The IUPAC name of 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one (CID 22959831) is 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one.
What is the SMILES notation for 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one?
The canonical SMILES for 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one is CC1NC(C(C)(C)C)N(C)C(=O)C1C.
What is the InChIKey of 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one?
The InChIKey is SIUDHOPFIIPWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-7-8(2)12-10(11(3,4)5)13(6)9(7)14/h7-8,10,12H,1-6H3.
What are the key properties of 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one?
2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one has a molecular weight of 198.31 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,5,6-trimethyl-1,3-diazinan-4-one is sourced from PubChem (CID 22959831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).