(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

C13H25N — CID 167560206

IUPAC(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC(C)[C@@H]1CC2CCC[C@@H]2N1C(C)C
InChIInChI=1S/C13H25N/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4/h9-13H,5-8H2,1-4H3/t11?,12-,13-/m0/s1
InChIKeyAXIOWPQMFZSCGD-SPOOISQMSA-N
MW195.35 g/mol
LogP3.29
Rot. Bonds2

About (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole

(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (PubChem CID 167560206) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.

Molecular Properties

Compound Name(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
PubChem CID167560206
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
SMILESCC(C)[C@@H]1CC2CCC[C@@H]2N1C(C)C
InChIInChI=1S/C13H25N/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4/h9-13H,5-8H2,1-4H3/t11?,12-,13-/m0/s1
InChIKeyAXIOWPQMFZSCGD-SPOOISQMSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole 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 (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The IUPAC name of (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole (CID 167560206) is (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole.
What is the SMILES notation for (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The canonical SMILES for (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is CC(C)[C@@H]1CC2CCC[C@@H]2N1C(C)C.
What is the InChIKey of (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
The InChIKey is AXIOWPQMFZSCGD-SPOOISQMSA-N. The full InChI is InChI=1S/C13H25N/c1-9(2)13-8-11-6-5-7-12(11)14(13)10(3)4/h9-13H,5-8H2,1-4H3/t11?,12-,13-/m0/s1.
What are the key properties of (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole?
(2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole has a molecular weight of 195.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6aS)-1,2-di(propan-2-yl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole is sourced from PubChem (CID 167560206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).