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

C8H16N2 — CID 66703870

IUPAC[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
SMILESNC[C@H]1NC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C8H16N2/c9-4-8-7-3-1-2-6(7)5-10-8/h6-8,10H,1-5,9H2/t6-,7-,8+/m0/s1
InChIKeyKEOHMABBOFOKHW-BIIVOSGPSA-N
MW140.23 g/mol
LogP0.33
Rot. Bonds1

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

[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine (PubChem CID 66703870) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
PubChem CID66703870
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
SMILESNC[C@H]1NC[C@@H]2CCC[C@@H]21
InChIInChI=1S/C8H16N2/c9-4-8-7-3-1-2-6(7)5-10-8/h6-8,10H,1-5,9H2/t6-,7-,8+/m0/s1
InChIKeyKEOHMABBOFOKHW-BIIVOSGPSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine?
The IUPAC name of [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine (CID 66703870) is [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine.
What is the SMILES notation for [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine?
The canonical SMILES for [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine is NC[C@H]1NC[C@@H]2CCC[C@@H]21.
What is the InChIKey of [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine?
The InChIKey is KEOHMABBOFOKHW-BIIVOSGPSA-N. The full InChI is InChI=1S/C8H16N2/c9-4-8-7-3-1-2-6(7)5-10-8/h6-8,10H,1-5,9H2/t6-,7-,8+/m0/s1.
What are the key properties of [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine?
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine is sourced from PubChem (CID 66703870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).