(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane

C8H15FN2 — CID 174083626

IUPAC(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CC(F)C[C@H](C1)N2
InChIInChI=1S/C8H15FN2/c1-11-4-7-2-6(9)3-8(5-11)10-7/h6-8,10H,2-5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyPVBLKCDHPYVTOS-ZUEIMRROSA-N
MW158.22 g/mol
LogP0.39
Rot. Bonds

About (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane

(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane (PubChem CID 174083626) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane
PubChem CID174083626
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane
SMILESCN1CC2CC(F)C[C@H](C1)N2
InChIInChI=1S/C8H15FN2/c1-11-4-7-2-6(9)3-8(5-11)10-7/h6-8,10H,2-5H2,1H3/t6?,7-,8?/m1/s1
InChIKeyPVBLKCDHPYVTOS-ZUEIMRROSA-N
XLogP0.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
CID 156708920
(1R,5S)-3-fluoro-9-azabicyclo[3.3.1]nonane
CID 135395892
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
(3S)-3-fluoro-1,5-dimethylpiperidine
CID 177326802
(3R,5R)-1,3,5-trimethylpiperazine;hydrochloride
CID 167526507
2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-d]imidazole
CID 162695078
tert-butyl 7-methyl-3,7,9-triazabicyclo[3.3.1]nonane-3-carboxylate
CID 53415348
ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
CID 170715036
3,6-diazabicyclo[3.1.1]heptan-3-ylmethanethiol
CID 142326704
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
(2R,3aS,6aS)-2,5-dimethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 124526119
3-(3-fluoroazetidin-1-yl)-1,4-dimethylpyrrolidine
CID 131131886

Frequently Asked Questions

What is the IUPAC name of (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane?
The IUPAC name of (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane (CID 174083626) is (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane is CN1CC2CC(F)C[C@H](C1)N2.
What is the InChIKey of (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane?
The InChIKey is PVBLKCDHPYVTOS-ZUEIMRROSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11-4-7-2-6(9)3-8(5-11)10-7/h6-8,10H,2-5H2,1H3/t6?,7-,8?/m1/s1.
What are the key properties of (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane?
(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane has a molecular weight of 158.22 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 174083626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).