1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine

C12H16N2 — CID 90422191

IUPAC1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine
SMILESNC12CCC3C=CC=CC3=C1CNC2
InChIInChI=1S/C12H16N2/c13-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-12/h1-4,9,14H,5-8,13H2
InChIKeyJWJFLDDQXQRQGN-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.12
Rot. Bonds

About 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine

1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine (PubChem CID 90422191) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine.

Molecular Properties

Compound Name1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine
PubChem CID90422191
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine
SMILESNC12CCC3C=CC=CC3=C1CNC2
InChIInChI=1S/C12H16N2/c13-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-12/h1-4,9,14H,5-8,13H2
InChIKeyJWJFLDDQXQRQGN-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-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 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine?
The IUPAC name of 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine (CID 90422191) is 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine.
What is the SMILES notation for 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine?
The canonical SMILES for 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine is NC12CCC3C=CC=CC3=C1CNC2.
What is the InChIKey of 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine?
The InChIKey is JWJFLDDQXQRQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c13-12-6-5-9-3-1-2-4-10(9)11(12)7-14-8-12/h1-4,9,14H,5-8,13H2.
What are the key properties of 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine?
1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine has a molecular weight of 188.27 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,5a-hexahydrobenzo[g]isoindol-3a-amine is sourced from PubChem (CID 90422191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).