8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane

C9H17FN2 — CID 105435254

IUPAC8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CNCC1C2F
InChIInChI=1S/C9H17FN2/c1-6(2)12-5-7-3-11-4-8(12)9(7)10/h6-9,11H,3-5H2,1-2H3
InChIKeyJXLYQEGAENNTMV-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds1

About 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane

8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane (PubChem CID 105435254) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
PubChem CID105435254
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
SMILESCC(C)N1CC2CNCC1C2F
InChIInChI=1S/C9H17FN2/c1-6(2)12-5-7-3-11-4-8(12)9(7)10/h6-9,11H,3-5H2,1-2H3
InChIKeyJXLYQEGAENNTMV-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
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-(3-Fluoro-1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
CID 68278195
4-[(2S)-2-(2-fluoropropyl)pyrrolidin-1-yl]-3-methylpiperidine
CID 134335424
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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The IUPAC name of 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane (CID 105435254) is 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane.
What is the SMILES notation for 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The canonical SMILES for 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane is CC(C)N1CC2CNCC1C2F.
What is the InChIKey of 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
The InChIKey is JXLYQEGAENNTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-6(2)12-5-7-3-11-4-8(12)9(7)10/h6-9,11H,3-5H2,1-2H3.
What are the key properties of 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane?
8-fluoro-6-propan-2-yl-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 8-fluoro-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 105435254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).