(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

C8H15FN2 — CID 69172519

IUPAC(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESCN1C[C@H]2C[C@H](F)C[C@@]2(N)C1
InChIInChI=1S/C8H15FN2/c1-11-4-6-2-7(9)3-8(6,10)5-11/h6-7H,2-5,10H2,1H3/t6-,7+,8-/m1/s1
InChIKeySQHNAUUWUMFEKZ-GJMOJQLCSA-N
MW158.22 g/mol
LogP0.38
Rot. Bonds

About (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine

(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (PubChem CID 69172519) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.

Molecular Properties

Compound Name(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
PubChem CID69172519
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine
SMILESCN1C[C@H]2C[C@H](F)C[C@@]2(N)C1
InChIInChI=1S/C8H15FN2/c1-11-4-6-2-7(9)3-8(6,10)5-11/h6-7H,2-5,10H2,1H3/t6-,7+,8-/m1/s1
InChIKeySQHNAUUWUMFEKZ-GJMOJQLCSA-N
XLogP0.38
TPSA29.26 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-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 (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The IUPAC name of (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine (CID 69172519) is (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine.
What is the SMILES notation for (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The canonical SMILES for (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is CN1C[C@H]2C[C@H](F)C[C@@]2(N)C1.
What is the InChIKey of (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
The InChIKey is SQHNAUUWUMFEKZ-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H15FN2/c1-11-4-6-2-7(9)3-8(6,10)5-11/h6-7H,2-5,10H2,1H3/t6-,7+,8-/m1/s1.
What are the key properties of (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine?
(3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine has a molecular weight of 158.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5S,6aR)-5-fluoro-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-amine is sourced from PubChem (CID 69172519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).