1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane

C7H13FN2 — CID 170102015

IUPAC1-fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC(C1)(CN2)F
InChIInChI=1S/C7H13FN2/c1-10-3-6-2-7(8,5-10)4-9-6/h6,9H,2-5H2,1H3
InChIKeyPABLTBSJSMFLGY-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.00
Rot. Bonds

About 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane

1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 170102015) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane
PubChem CID170102015
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name1-fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane
SMILESCN1CC2CC(C1)(CN2)F
InChIInChI=1S/C7H13FN2/c1-10-3-6-2-7(8,5-10)4-9-6/h6,9H,2-5H2,1H3
InChIKeyPABLTBSJSMFLGY-UHFFFAOYSA-N
XLogP0.00
TPSA15.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3,8-diazabicyclo(3.2.1)octane
CID 12378900
6-Methyl-3,6-diazabicyclo(3.2.1)octane dihydrochloride
CID 13999282
3-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999283
8-Methyl-3,8-diazabicyclo[3.2.1]octane
CID 422924
3,6-Diazabicyclo[3.2.1]-octane
CID 22121937
6-Methyl-3,6-diazabicyclo[3.2.1]octane
CID 13999281
1-Azabicyclo[3.2.1]octan-6-amine
CID 55288950
6-Methyl-2,6-diazabicyclo[3.2.1]octane
CID 146675323
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-[[(3S,5R)-1-tert-butyl-3-fluoro-5-methylpyrrolidin-3-yl]methyl]piperazine
CID 153306549
2-Fluoro-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 166102791

Frequently Asked Questions

What is the IUPAC name of 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane (CID 170102015) is 1-fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane is CN1CC2CC(C1)(CN2)F.
What is the InChIKey of 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is PABLTBSJSMFLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-3-6-2-7(8,5-10)4-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane?
1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane has a molecular weight of 144.19 g/mol, XLogP of 0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Fluoro-3-methyl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 170102015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).