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

C9H18N2 — CID 58515227

IUPAC(3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCCN1C[C@@H]2CC[C@H](N)[C@@H]2C1
InChIInChI=1S/C9H18N2/c1-2-11-5-7-3-4-9(10)8(7)6-11/h7-9H,2-6,10H2,1H3/t7-,8+,9-/m0/s1
InChIKeyNJHJKAWNIOGYHB-YIZRAAEISA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds1

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

(3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 58515227) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name(3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID58515227
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name(3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESCCN1C[C@@H]2CC[C@H](N)[C@@H]2C1
InChIInChI=1S/C9H18N2/c1-2-11-5-7-3-4-9(10)8(7)6-11/h7-9H,2-6,10H2,1H3/t7-,8+,9-/m0/s1
InChIKeyNJHJKAWNIOGYHB-YIZRAAEISA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 58515227) is (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is CCN1C[C@@H]2CC[C@H](N)[C@@H]2C1.
What is the InChIKey of (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is NJHJKAWNIOGYHB-YIZRAAEISA-N. The full InChI is InChI=1S/C9H18N2/c1-2-11-5-7-3-4-9(10)8(7)6-11/h7-9H,2-6,10H2,1H3/t7-,8+,9-/m0/s1.
What are the key properties of (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
(3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 154.26 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 58515227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).