(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one

C11H22N2O — CID 10867300

IUPAC(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one
SMILESC[C@H]1CC(=O)N(C)[C@@H](C(C)(C)C)N1C
InChIInChI=1S/C11H22N2O/c1-8-7-9(14)13(6)10(12(8)5)11(2,3)4/h8,10H,7H2,1-6H3/t8-,10-/m0/s1
InChIKeyGFIOXVFCBIKVLO-WPRPVWTQSA-N
MW198.31 g/mol
LogP1.54
Rot. Bonds

About (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one

(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one (PubChem CID 10867300) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one.

Molecular Properties

Compound Name(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one
PubChem CID10867300
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one
SMILESC[C@H]1CC(=O)N(C)[C@@H](C(C)(C)C)N1C
InChIInChI=1S/C11H22N2O/c1-8-7-9(14)13(6)10(12(8)5)11(2,3)4/h8,10H,7H2,1-6H3/t8-,10-/m0/s1
InChIKeyGFIOXVFCBIKVLO-WPRPVWTQSA-N
XLogP1.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylic acid
CID 66733574
2-tert-butyl-1-(2,2-dibromoacetyl)-3-methylimidazolidin-4-one
CID 13125054
2-tert-butyl-3-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonylimidazolidin-4-one
CID 622594
1,2-ditert-butyl-3,4-dimethyl-1,3-diazinane
CID 154614439
6-tert-butyl-1-methylpiperazin-2-one
CID 83695429
1-(2-hydroxyethyl)-4-methylazetidin-2-one
CID 11182619
(3R,8aR)-3-tert-butyl-2,8a-dimethyl-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-1-one
CID 71204687
2-methyl-4-oxoazetidine-1-carbaldehyde
CID 118219535
1-(1-benzylpyrrolidine-3-carbonyl)-2-tert-butyl-3-methylimidazolidin-4-one
CID 171988841
(2S)-1,3-dimethyl-5-oxopyrrolidine-2-carboxylic acid
CID 67458673
2-(2-hydroxyethyl)-1,5-dimethylpyrazolidin-3-one
CID 105430948
(1S,5S,7R)-2-methyl-3-oxo-2-azabicyclo[3.2.1]octane-7-carboxylic acid
CID 129413531

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one?
The IUPAC name of (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one (CID 10867300) is (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one.
What is the SMILES notation for (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one?
The canonical SMILES for (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one is C[C@H]1CC(=O)N(C)[C@@H](C(C)(C)C)N1C.
What is the InChIKey of (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one?
The InChIKey is GFIOXVFCBIKVLO-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-7-9(14)13(6)10(12(8)5)11(2,3)4/h8,10H,7H2,1-6H3/t8-,10-/m0/s1.
What are the key properties of (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one?
(2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one has a molecular weight of 198.31 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-tert-butyl-1,3,6-trimethyl-1,3-diazinan-4-one is sourced from PubChem (CID 10867300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).