isoquinolin-6-amine

C9H8N2 — CID 588991

IUPACisoquinolin-6-amine
SMILESNc1ccc2cnccc2c1
InChIInChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
InChIKeyNGFCTYXFMDWFRQ-UHFFFAOYSA-N
MW144.18 g/mol
LogP1.82
Rot. Bonds

About isoquinolin-6-amine

isoquinolin-6-amine (PubChem CID 588991) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is isoquinolin-6-amine.

Molecular Properties

Compound Nameisoquinolin-6-amine
PubChem CID588991
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Nameisoquinolin-6-amine
SMILESNc1ccc2cnccc2c1
InChIInChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2
InChIKeyNGFCTYXFMDWFRQ-UHFFFAOYSA-N
XLogP1.82
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 51.82
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 isoquinolin-6-amine?
The IUPAC name of isoquinolin-6-amine (CID 588991) is isoquinolin-6-amine.
What is the SMILES notation for isoquinolin-6-amine?
The canonical SMILES for isoquinolin-6-amine is Nc1ccc2cnccc2c1.
What is the InChIKey of isoquinolin-6-amine?
The InChIKey is NGFCTYXFMDWFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-6H,10H2.
What are the key properties of isoquinolin-6-amine?
isoquinolin-6-amine has a molecular weight of 144.18 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-6-amine is sourced from PubChem (CID 588991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).