3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol

C11H21NO — CID 162493737

IUPAC3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol
SMILES[2H]C([2H])([2H])C1(O)C2CCC1CN(C(C)C)C2
InChIInChI=1S/C11H21NO/c1-8(2)12-6-9-4-5-10(7-12)11(9,3)13/h8-10,13H,4-7H2,1-3H3/i3D3
InChIKeyCAPLRQFWQVKXGN-HPRDVNIFSA-N
MW186.31 g/mol
LogP1.49
Rot. Bonds2

About 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol

3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 162493737) has the molecular formula C11H21NO and a molecular weight of 186.31 g/mol. Its IUPAC name is 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID162493737
Molecular FormulaC11H21NO
Molecular Weight186.31 g/mol
Exact Mass186.18
IUPAC Name3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol
SMILES[2H]C([2H])([2H])C1(O)C2CCC1CN(C(C)C)C2
InChIInChI=1S/C11H21NO/c1-8(2)12-6-9-4-5-10(7-12)11(9,3)13/h8-10,13H,4-7H2,1-3H3/i3D3
InChIKeyCAPLRQFWQVKXGN-HPRDVNIFSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3',7'-di(propan-2-yl)spiro[1,3-dithiolane-2,9'-3,7-diazabicyclo[3.3.1]nonane]
CID 10614199
6-methyl-3-propan-2-yl-3-azabicyclo[3.1.1]heptan-6-amine
CID 134434650
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
N-cyclopropyl-N-methyl-1-propan-2-ylazetidin-3-amine
CID 130218648
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
3-methylsulfonyl-7-propan-2-yl-9-(trifluoromethyl)-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 131661072
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
3,4,4,5-tetramethyl-1-propan-2-ylpiperidine
CID 121288182
6,6-dimethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;ethane
CID 169193368

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol (CID 162493737) is 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol is [2H]C([2H])([2H])C1(O)C2CCC1CN(C(C)C)C2.
What is the InChIKey of 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is CAPLRQFWQVKXGN-HPRDVNIFSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(2)12-6-9-4-5-10(7-12)11(9,3)13/h8-10,13H,4-7H2,1-3H3/i3D3.
What are the key properties of 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol?
3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 186.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-8-(trideuteriomethyl)-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 162493737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).