(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine

C9H17FN2 — CID 164821466

IUPAC(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESCC(C)N1C[C@H]2CC(F)[C@@H]1[C@@H]2N
InChIInChI=1S/C9H17FN2/c1-5(2)12-4-6-3-7(10)9(12)8(6)11/h5-9H,3-4,11H2,1-2H3/t6-,7?,8-,9-/m1/s1
InChIKeySKADSTAZFDMBBS-CWWFFFCGSA-N
MW172.25 g/mol
LogP0.76
Rot. Bonds1

About (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine

(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine (PubChem CID 164821466) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine.

Molecular Properties

Compound Name(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine
PubChem CID164821466
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine
SMILESCC(C)N1C[C@H]2CC(F)[C@@H]1[C@@H]2N
InChIInChI=1S/C9H17FN2/c1-5(2)12-4-6-3-7(10)9(12)8(6)11/h5-9H,3-4,11H2,1-2H3/t6-,7?,8-,9-/m1/s1
InChIKeySKADSTAZFDMBBS-CWWFFFCGSA-N
XLogP0.76
TPSA29.26 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 ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine?
The IUPAC name of (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine (CID 164821466) is (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine.
What is the SMILES notation for (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine?
The canonical SMILES for (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine is CC(C)N1C[C@H]2CC(F)[C@@H]1[C@@H]2N.
What is the InChIKey of (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine?
The InChIKey is SKADSTAZFDMBBS-CWWFFFCGSA-N. The full InChI is InChI=1S/C9H17FN2/c1-5(2)12-4-6-3-7(10)9(12)8(6)11/h5-9H,3-4,11H2,1-2H3/t6-,7?,8-,9-/m1/s1.
What are the key properties of (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine?
(1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine has a molecular weight of 172.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7R)-6-fluoro-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-7-amine is sourced from PubChem (CID 164821466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).