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

C15H23N3O — CID 115558857

IUPAC6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CC3CCCC3C2)ccc1N
InChIInChI=1S/C15H23N3O/c1-2-8-19-15-13(16)6-7-14(17-15)18-9-11-4-3-5-12(11)10-18/h6-7,11-12H,2-5,8-10,16H2,1H3
InChIKeyYIFZGIJKGDUYQE-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.69
Rot. Bonds4

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

6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine (PubChem CID 115558857) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine
PubChem CID115558857
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(N2CC3CCCC3C2)ccc1N
InChIInChI=1S/C15H23N3O/c1-2-8-19-15-13(16)6-7-14(17-15)18-9-11-4-3-5-12(11)10-18/h6-7,11-12H,2-5,8-10,16H2,1H3
InChIKeyYIFZGIJKGDUYQE-UHFFFAOYSA-N
XLogP2.69
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine 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 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine?
The IUPAC name of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine (CID 115558857) is 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine is CCCOc1nc(N2CC3CCCC3C2)ccc1N.
What is the InChIKey of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine?
The InChIKey is YIFZGIJKGDUYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-8-19-15-13(16)6-7-14(17-15)18-9-11-4-3-5-12(11)10-18/h6-7,11-12H,2-5,8-10,16H2,1H3.
What are the key properties of 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine?
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine has a molecular weight of 261.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-propoxypyridin-3-amine is sourced from PubChem (CID 115558857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).