2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one

C12H22N2O2 — CID 146393528

IUPAC2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
SMILESCC(C)N1CC2CC(C1)N2C(=O)C(C)(C)O
InChIInChI=1S/C12H22N2O2/c1-8(2)13-6-9-5-10(7-13)14(9)11(15)12(3,4)16/h8-10,16H,5-7H2,1-4H3
InChIKeyMFRZWVPLCCEOIR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.45
Rot. Bonds2

About 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one

2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one (PubChem CID 146393528) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
PubChem CID146393528
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one
SMILESCC(C)N1CC2CC(C1)N2C(=O)C(C)(C)O
InChIInChI=1S/C12H22N2O2/c1-8(2)13-6-9-5-10(7-13)14(9)11(15)12(3,4)16/h8-10,16H,5-7H2,1-4H3
InChIKeyMFRZWVPLCCEOIR-UHFFFAOYSA-N
XLogP0.45
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506569
cyclohexyl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 134506567
2-hydroxy-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 59855855
piperidin-4-yl-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone
CID 156837063
2-hydroxy-2-methyl-1-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]propan-1-one
CID 134380044
(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-(4-propan-2-ylsulfonylpiperazin-1-yl)methanone
CID 170175039
2-hydroxy-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 58054350
1-[3-(5-bromo-1,3,4-thiadiazol-2-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-hydroxy-2-methylpropan-1-one
CID 146382449
3,3-dimethyl-1-(1-propan-2-ylazetidin-3-yl)butan-1-one
CID 59216544
1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429422
2-hydroxy-2-methyl-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 103430580
tert-butyl 3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate;3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;trihydrochloride
CID 165084939

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one (CID 146393528) is 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one is CC(C)N1CC2CC(C1)N2C(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one?
The InChIKey is MFRZWVPLCCEOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(2)13-6-9-5-10(7-13)14(9)11(15)12(3,4)16/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one?
2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one has a molecular weight of 226.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)propan-1-one is sourced from PubChem (CID 146393528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).