(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

C10H19FN2 — CID 170050723

IUPAC(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)N1[C@H]2CC[C@@H]1[C@@H](F)[C@H](N)C2
InChIInChI=1S/C10H19FN2/c1-6(2)13-7-3-4-9(13)10(11)8(12)5-7/h6-10H,3-5,12H2,1-2H3/t7-,8+,9+,10-/m0/s1
InChIKeySTCVRSTYIUJCII-JLIMGVALSA-N
MW186.27 g/mol
LogP1.30
Rot. Bonds1

About (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine

(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 170050723) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID170050723
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC(C)N1[C@H]2CC[C@@H]1[C@@H](F)[C@H](N)C2
InChIInChI=1S/C10H19FN2/c1-6(2)13-7-3-4-9(13)10(11)8(12)5-7/h6-10H,3-5,12H2,1-2H3/t7-,8+,9+,10-/m0/s1
InChIKeySTCVRSTYIUJCII-JLIMGVALSA-N
XLogP1.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(1R,2R,4S)-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 164821448
2-fluoro-7-propan-2-yl-7-azabicyclo[2.2.1]heptane
CID 170676189
(1R,2R,3R,5S)-2-amino-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 164821408
(1R,2S,3S,5S)-3-methoxy-8-propan-2-yl-8-azabicyclo[3.2.1]octan-2-amine
CID 164821484
(3R)-9-propan-2-yl-9-azabicyclo[4.2.1]nonan-3-amine
CID 175639262
(2S,4S)-N-ethyl-7-propan-2-yl-7-azabicyclo[2.2.1]heptan-2-amine
CID 175638463
(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-amine
CID 162446493
(1R,3S,4S,5S,6S)-4-fluoro-2-propan-2-yl-2-azatricyclo[3.2.1.03,6]octan-5-amine
CID 170046907
2-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 82241138
9-methyl-10-propan-2-yl-9,10-diazatricyclo[4.2.1.12,5]decane
CID 121459120
(5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octane-3-sulfonamide
CID 137402525
(1S,5R,6R)-5-fluoro-7-propan-2-yl-3-oxa-7-azabicyclo[4.1.1]octane
CID 176594328

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine (CID 170050723) is (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is CC(C)N1[C@H]2CC[C@@H]1[C@@H](F)[C@H](N)C2.
What is the InChIKey of (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is STCVRSTYIUJCII-JLIMGVALSA-N. The full InChI is InChI=1S/C10H19FN2/c1-6(2)13-7-3-4-9(13)10(11)8(12)5-7/h6-10H,3-5,12H2,1-2H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine?
(1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 186.27 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-2-fluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 170050723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).