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

C9H17FN2 — CID 105435253

IUPAC6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CNCC1C2(C)F
InChIInChI=1S/C9H17FN2/c1-3-12-6-7-4-11-5-8(12)9(7,2)10/h7-8,11H,3-6H2,1-2H3
InChIKeyRBBMHZSTVFDHPY-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds1

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

6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105435253) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105435253
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCCN1CC2CNCC1C2(C)F
InChIInChI=1S/C9H17FN2/c1-3-12-6-7-4-11-5-8(12)9(7,2)10/h7-8,11H,3-6H2,1-2H3
InChIKeyRBBMHZSTVFDHPY-UHFFFAOYSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.64
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-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (CID 105435253) is 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is CCN1CC2CNCC1C2(C)F.
What is the InChIKey of 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is RBBMHZSTVFDHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-3-12-6-7-4-11-5-8(12)9(7,2)10/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 172.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105435253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).