(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine

C7H14N2 — CID 67490790

IUPAC(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine
SMILESN[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C7H14N2/c8-7-3-1-2-6(7)4-9-5-7/h6,9H,1-5,8H2/t6-,7-/m1/s1
InChIKeyTUYIHOJSSJJFMO-RNFRBKRXSA-N
MW126.20 g/mol
LogP0.09
Rot. Bonds

About (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine

(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine (PubChem CID 67490790) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine.

Molecular Properties

Compound Name(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine
PubChem CID67490790
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine
SMILESN[C@@]12CCC[C@@H]1CNC2
InChIInChI=1S/C7H14N2/c8-7-3-1-2-6(7)4-9-5-7/h6,9H,1-5,8H2/t6-,7-/m1/s1
InChIKeyTUYIHOJSSJJFMO-RNFRBKRXSA-N
XLogP0.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine?
The IUPAC name of (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine (CID 67490790) is (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine.
What is the SMILES notation for (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine?
The canonical SMILES for (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine is N[C@@]12CCC[C@@H]1CNC2.
What is the InChIKey of (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine?
The InChIKey is TUYIHOJSSJJFMO-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2/c8-7-3-1-2-6(7)4-9-5-7/h6,9H,1-5,8H2/t6-,7-/m1/s1.
What are the key properties of (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine?
(3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine has a molecular weight of 126.20 g/mol, XLogP of 0.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-amine is sourced from PubChem (CID 67490790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).