2H-indol-6-amine

C8H8N2 — CID 59274943

IUPAC2H-indol-6-amine
SMILESNc1ccc2c(c1)=NCC=2
InChIInChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5H,4,9H2
InChIKeyCXHJYSZNWDCFBF-UHFFFAOYSA-N
MW132.17 g/mol
LogP-0.32
Rot. Bonds

About 2H-indol-6-amine

2H-indol-6-amine (PubChem CID 59274943) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 2H-indol-6-amine.

Molecular Properties

Compound Name2H-indol-6-amine
PubChem CID59274943
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name2H-indol-6-amine
SMILESNc1ccc2c(c1)=NCC=2
InChIInChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5H,4,9H2
InChIKeyCXHJYSZNWDCFBF-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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 2H-indol-6-amine?
The IUPAC name of 2H-indol-6-amine (CID 59274943) is 2H-indol-6-amine.
What is the SMILES notation for 2H-indol-6-amine?
The canonical SMILES for 2H-indol-6-amine is Nc1ccc2c(c1)=NCC=2.
What is the InChIKey of 2H-indol-6-amine?
The InChIKey is CXHJYSZNWDCFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-3,5H,4,9H2.
What are the key properties of 2H-indol-6-amine?
2H-indol-6-amine has a molecular weight of 132.17 g/mol, XLogP of -0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indol-6-amine is sourced from PubChem (CID 59274943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).