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

C10H17FN2 — CID 105441286

IUPAC6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1N(C1CC1)C2
InChIInChI=1S/C10H17FN2/c1-10(11)7-4-12-5-9(10)13(6-7)8-2-3-8/h7-9,12H,2-6H2,1H3
InChIKeyFJKMDIVRNJGFGM-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.78
Rot. Bonds1

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

6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105441286) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105441286
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCC1(F)C2CNCC1N(C1CC1)C2
InChIInChI=1S/C10H17FN2/c1-10(11)7-4-12-5-9(10)13(6-7)8-2-3-8/h7-9,12H,2-6H2,1H3
InChIKeyFJKMDIVRNJGFGM-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-[[(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-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane
CID 170102015
1-Fluoro-6-methyl-3,6-diazabicyclo[3.2.1]octane
CID 170102069
2-Butan-2-yl-5-cyclopropyl-1-(2-fluoroethyl)-5-methylpiperazine
CID 80696302
5-Butan-2-yl-2-cyclopropyl-1-(2-fluoroethyl)-2-methylpiperazine
CID 80696739
3-Cyclopropyl-1-(2-fluoroethyl)-3,7-dimethyl-1,4-diazepane
CID 80696748

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane (CID 105441286) is 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is CC1(F)C2CNCC1N(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is FJKMDIVRNJGFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-10(11)7-4-12-5-9(10)13(6-7)8-2-3-8/h7-9,12H,2-6H2,1H3.
What are the key properties of 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane?
6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 184.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105441286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).