acridin-3-amine

C13H10N2 — CID 11385

IUPACacridin-3-amine
SMILESNc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2
InChIKeyGHCKERHPOQWERJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP2.97
Rot. Bonds

About acridin-3-amine

acridin-3-amine (PubChem CID 11385) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is acridin-3-amine.

Molecular Properties

Compound Nameacridin-3-amine
PubChem CID11385
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Nameacridin-3-amine
SMILESNc1ccc2cc3ccccc3nc2c1
InChIInChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2
InChIKeyGHCKERHPOQWERJ-UHFFFAOYSA-N
XLogP2.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze acridin-3-amine 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 acridin-3-amine?
The IUPAC name of acridin-3-amine (CID 11385) is acridin-3-amine.
What is the SMILES notation for acridin-3-amine?
The canonical SMILES for acridin-3-amine is Nc1ccc2cc3ccccc3nc2c1.
What is the InChIKey of acridin-3-amine?
The InChIKey is GHCKERHPOQWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c14-11-6-5-10-7-9-3-1-2-4-12(9)15-13(10)8-11/h1-8H,14H2.
What are the key properties of acridin-3-amine?
acridin-3-amine has a molecular weight of 194.24 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-3-amine is sourced from PubChem (CID 11385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).