2,3-dihydro-1H-isoindol-5-amine

C8H10N2 — CID 14795862

IUPAC2,3-dihydro-1H-isoindol-5-amine
SMILESNc1ccc2c(c1)CNC2
InChIInChI=1S/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2
InChIKeyYTIFSHPDDSIFRO-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 2,3-dihydro-1H-isoindol-5-amine

2,3-dihydro-1H-isoindol-5-amine (PubChem CID 14795862) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-5-amine.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-5-amine
PubChem CID14795862
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2,3-dihydro-1H-isoindol-5-amine
SMILESNc1ccc2c(c1)CNC2
InChIInChI=1S/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2
InChIKeyYTIFSHPDDSIFRO-UHFFFAOYSA-N
XLogP0.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-5-amine?
The IUPAC name of 2,3-dihydro-1H-isoindol-5-amine (CID 14795862) is 2,3-dihydro-1H-isoindol-5-amine.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-5-amine?
The canonical SMILES for 2,3-dihydro-1H-isoindol-5-amine is Nc1ccc2c(c1)CNC2.
What is the InChIKey of 2,3-dihydro-1H-isoindol-5-amine?
The InChIKey is YTIFSHPDDSIFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c9-8-2-1-6-4-10-5-7(6)3-8/h1-3,10H,4-5,9H2.
What are the key properties of 2,3-dihydro-1H-isoindol-5-amine?
2,3-dihydro-1H-isoindol-5-amine has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-5-amine is sourced from PubChem (CID 14795862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).