(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine

C7H13FN2 — CID 69172530

IUPAC(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESCN1C[C@H]2[C@H](F)C[C@@]2(N)C1
InChIInChI=1S/C7H13FN2/c1-10-3-5-6(8)2-7(5,9)4-10/h5-6H,2-4,9H2,1H3/t5-,6+,7+/m0/s1
InChIKeyLJUBTIZLYSUBNG-RRKCRQDMSA-N
MW144.19 g/mol
LogP-0.01
Rot. Bonds

About (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine

(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine (PubChem CID 69172530) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine.

Molecular Properties

Compound Name(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
PubChem CID69172530
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
SMILESCN1C[C@H]2[C@H](F)C[C@@]2(N)C1
InChIInChI=1S/C7H13FN2/c1-10-3-5-6(8)2-7(5,9)4-10/h5-6H,2-4,9H2,1H3/t5-,6+,7+/m0/s1
InChIKeyLJUBTIZLYSUBNG-RRKCRQDMSA-N
XLogP-0.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
The IUPAC name of (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine (CID 69172530) is (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine.
What is the SMILES notation for (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
The canonical SMILES for (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine is CN1C[C@H]2[C@H](F)C[C@@]2(N)C1.
What is the InChIKey of (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
The InChIKey is LJUBTIZLYSUBNG-RRKCRQDMSA-N. The full InChI is InChI=1S/C7H13FN2/c1-10-3-5-6(8)2-7(5,9)4-10/h5-6H,2-4,9H2,1H3/t5-,6+,7+/m0/s1.
What are the key properties of (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine?
(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine has a molecular weight of 144.19 g/mol, XLogP of -0.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine is sourced from PubChem (CID 69172530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).