4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine

C9H14N2 — CID 12973048

IUPAC4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine
SMILESNCC1CCc2c[nH]cc2C1
InChIInChI=1S/C9H14N2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h5-7,11H,1-4,10H2
InChIKeyAHQVWVILFQJKSM-UHFFFAOYSA-N
MW150.23 g/mol
LogP1.08
Rot. Bonds1

About 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine

4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine (PubChem CID 12973048) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine
PubChem CID12973048
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine
SMILESNCC1CCc2c[nH]cc2C1
InChIInChI=1S/C9H14N2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h5-7,11H,1-4,10H2
InChIKeyAHQVWVILFQJKSM-UHFFFAOYSA-N
XLogP1.08
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine 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 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine?
The IUPAC name of 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine (CID 12973048) is 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine.
What is the SMILES notation for 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine?
The canonical SMILES for 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine is NCC1CCc2c[nH]cc2C1.
What is the InChIKey of 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine?
The InChIKey is AHQVWVILFQJKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h5-7,11H,1-4,10H2.
What are the key properties of 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine?
4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine has a molecular weight of 150.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-2H-isoindol-5-ylmethanamine is sourced from PubChem (CID 12973048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).