[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine

C8H16N2 — CID 66844838

IUPAC[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C8H16N2/c9-5-7-4-6-2-1-3-8(6)10-7/h6-8,10H,1-5,9H2/t6-,7-,8-/m0/s1
InChIKeyFHJKNPJFTIYTMS-FXQIFTODSA-N
MW140.23 g/mol
LogP0.48
Rot. Bonds1

About [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine

[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine (PubChem CID 66844838) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine
PubChem CID66844838
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine
SMILESNC[C@@H]1C[C@@H]2CCC[C@@H]2N1
InChIInChI=1S/C8H16N2/c9-5-7-4-6-2-1-3-8(6)10-7/h6-8,10H,1-5,9H2/t6-,7-,8-/m0/s1
InChIKeyFHJKNPJFTIYTMS-FXQIFTODSA-N
XLogP0.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine?
The IUPAC name of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine (CID 66844838) is [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine.
What is the SMILES notation for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine?
The canonical SMILES for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine is NC[C@@H]1C[C@@H]2CCC[C@@H]2N1.
What is the InChIKey of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine?
The InChIKey is FHJKNPJFTIYTMS-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16N2/c9-5-7-4-6-2-1-3-8(6)10-7/h6-8,10H,1-5,9H2/t6-,7-,8-/m0/s1.
What are the key properties of [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine?
[(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrol-2-yl]methanamine is sourced from PubChem (CID 66844838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).