acridine-3,9-diamine

C13H11N3 — CID 13713

IUPACacridine-3,9-diamine
SMILESNc1ccc2c(N)c3ccccc3nc2c1
InChIInChI=1S/C13H11N3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,14H2,(H2,15,16)
InChIKeyAMOPBNMABDFREG-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds

About acridine-3,9-diamine

acridine-3,9-diamine (PubChem CID 13713) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is acridine-3,9-diamine.

Molecular Properties

Compound Nameacridine-3,9-diamine
PubChem CID13713
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Nameacridine-3,9-diamine
SMILESNc1ccc2c(N)c3ccccc3nc2c1
InChIInChI=1S/C13H11N3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,14H2,(H2,15,16)
InChIKeyAMOPBNMABDFREG-UHFFFAOYSA-N
XLogP2.55
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridine-3,9-diamine?
The IUPAC name of acridine-3,9-diamine (CID 13713) is acridine-3,9-diamine.
What is the SMILES notation for acridine-3,9-diamine?
The canonical SMILES for acridine-3,9-diamine is Nc1ccc2c(N)c3ccccc3nc2c1.
What is the InChIKey of acridine-3,9-diamine?
The InChIKey is AMOPBNMABDFREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,14H2,(H2,15,16).
What are the key properties of acridine-3,9-diamine?
acridine-3,9-diamine has a molecular weight of 209.25 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-3,9-diamine is sourced from PubChem (CID 13713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).