6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane

C11H21FN2 — CID 105453103

IUPAC6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1N(C(C)(C)C)C2
InChIInChI=1S/C11H21FN2/c1-10(2,3)14-7-8-5-13-6-9(14)11(8,4)12/h8-9,13H,5-7H2,1-4H3
InChIKeyPBFKJGZJFNHRKY-UHFFFAOYSA-N
MW200.30 g/mol
LogP1.42
Rot. Bonds

About 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane

6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105453103) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105453103
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1N(C(C)(C)C)C2
InChIInChI=1S/C11H21FN2/c1-10(2,3)14-7-8-5-13-6-9(14)11(8,4)12/h8-9,13H,5-7H2,1-4H3
InChIKeyPBFKJGZJFNHRKY-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
6-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999281
1-[[(2R,3S,4R)-4-fluoro-2-methyl-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 149156472
1-[[(3R,5R)-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
CID 153298348
1-[[(5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
CID 153298685
1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine
CID 153298849
1-[[(2R,3S,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine
CID 153298859
1-[[(2R,3R,4R)-1-tert-butyl-4-fluoro-2-methylpyrrolidin-3-yl]methyl]piperazine
CID 153298939
1-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
CID 153306549
1-[[(2R,4R)-1-tert-butyl-4-fluoro-2-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 156566566
1-[(1-Tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl)methyl]piperazine
CID 170080081

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (CID 105453103) is 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is CC1(F)C2CNCC1N(C(C)(C)C)C2.
What is the InChIKey of 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is PBFKJGZJFNHRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-10(2,3)14-7-8-5-13-6-9(14)11(8,4)12/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 200.30 g/mol, XLogP of 1.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105453103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).