3H-indol-5-amine

C8H8N2 — CID 10154075

IUPAC3H-indol-5-amine
SMILESNc1ccc2c(c1)CC=N2
InChIInChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,4-5H,3,9H2
InChIKeyPLFFBSPYAUPJCP-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.53
Rot. Bonds

About 3H-indol-5-amine

3H-indol-5-amine (PubChem CID 10154075) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 3H-indol-5-amine.

Molecular Properties

Compound Name3H-indol-5-amine
PubChem CID10154075
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name3H-indol-5-amine
SMILESNc1ccc2c(c1)CC=N2
InChIInChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,4-5H,3,9H2
InChIKeyPLFFBSPYAUPJCP-UHFFFAOYSA-N
XLogP1.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
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 3H-indol-5-amine?
The IUPAC name of 3H-indol-5-amine (CID 10154075) is 3H-indol-5-amine.
What is the SMILES notation for 3H-indol-5-amine?
The canonical SMILES for 3H-indol-5-amine is Nc1ccc2c(c1)CC=N2.
What is the InChIKey of 3H-indol-5-amine?
The InChIKey is PLFFBSPYAUPJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,4-5H,3,9H2.
What are the key properties of 3H-indol-5-amine?
3H-indol-5-amine has a molecular weight of 132.17 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-indol-5-amine is sourced from PubChem (CID 10154075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).