acridine-3,6-diamine;dihydrochloride

C13H13Cl2N3 — CID 10750

IUPACacridine-3,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C13H11N3.2ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h1-7H,14-15H2;2*1H
InChIKeyYHIHFKAEJAVELI-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.40
Rot. Bonds

About acridine-3,6-diamine;dihydrochloride

acridine-3,6-diamine;dihydrochloride (PubChem CID 10750) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is acridine-3,6-diamine;dihydrochloride.

Molecular Properties

Compound Nameacridine-3,6-diamine;dihydrochloride
PubChem CID10750
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Nameacridine-3,6-diamine;dihydrochloride
SMILESCl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C13H11N3.2ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h1-7H,14-15H2;2*1H
InChIKeyYHIHFKAEJAVELI-UHFFFAOYSA-N
XLogP3.40
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-3,6-diamine;dihydrochloride?
The IUPAC name of acridine-3,6-diamine;dihydrochloride (CID 10750) is acridine-3,6-diamine;dihydrochloride.
What is the SMILES notation for acridine-3,6-diamine;dihydrochloride?
The canonical SMILES for acridine-3,6-diamine;dihydrochloride is Cl.Cl.Nc1ccc2cc3ccc(N)cc3nc2c1.
What is the InChIKey of acridine-3,6-diamine;dihydrochloride?
The InChIKey is YHIHFKAEJAVELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3.2ClH/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h1-7H,14-15H2;2*1H.
What are the key properties of acridine-3,6-diamine;dihydrochloride?
acridine-3,6-diamine;dihydrochloride has a molecular weight of 282.17 g/mol, XLogP of 3.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-3,6-diamine;dihydrochloride is sourced from PubChem (CID 10750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).