1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine

C12H16N2 — CID 70206369

IUPAC1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine
SMILESNC1=CC2=C3CCCN3CCC2C=C1
InChIInChI=1S/C12H16N2/c13-10-4-3-9-5-7-14-6-1-2-12(14)11(9)8-10/h3-4,8-9H,1-2,5-7,13H2
InChIKeyOCWSWJBWRZKKMZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.77
Rot. Bonds

About 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine

1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine (PubChem CID 70206369) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine.

Molecular Properties

Compound Name1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine
PubChem CID70206369
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine
SMILESNC1=CC2=C3CCCN3CCC2C=C1
InChIInChI=1S/C12H16N2/c13-10-4-3-9-5-7-14-6-1-2-12(14)11(9)8-10/h3-4,8-9H,1-2,5-7,13H2
InChIKeyOCWSWJBWRZKKMZ-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-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 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine?
The IUPAC name of 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine (CID 70206369) is 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine.
What is the SMILES notation for 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine?
The canonical SMILES for 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine is NC1=CC2=C3CCCN3CCC2C=C1.
What is the InChIKey of 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine?
The InChIKey is OCWSWJBWRZKKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-10-4-3-9-5-7-14-6-1-2-12(14)11(9)8-10/h3-4,8-9H,1-2,5-7,13H2.
What are the key properties of 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine?
1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine has a molecular weight of 188.27 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6a-hexahydropyrrolo[2,1-a]isoquinolin-9-amine is sourced from PubChem (CID 70206369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).