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

C10H19FN2 — CID 105442286

IUPAC6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CNCC1C2F
InChIInChI=1S/C10H19FN2/c1-10(2,3)13-6-7-4-12-5-8(13)9(7)11/h7-9,12H,4-6H2,1-3H3
InChIKeyLXCSPUBOBBJXRO-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.03
Rot. Bonds

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

6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105442286) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
PubChem CID105442286
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)(C)N1CC2CNCC1C2F
InChIInChI=1S/C10H19FN2/c1-10(2,3)13-6-7-4-12-5-8(13)9(7)11/h7-9,12H,4-6H2,1-3H3
InChIKeyLXCSPUBOBBJXRO-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.03
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
3-Methyl-1-(pyrrolidin-2-ylmethyl)piperidine
CID 17389881
3,6-Diazabicyclo[3.2.1]octane
CID 22121937
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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane (CID 105442286) is 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane is CC(C)(C)N1CC2CNCC1C2F.
What is the InChIKey of 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is LXCSPUBOBBJXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c1-10(2,3)13-6-7-4-12-5-8(13)9(7)11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane?
6-tert-butyl-8-fluoro-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 186.27 g/mol, XLogP of 1.03, 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-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105442286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).