acridine-3,6-diamine

C13H11N3 — CID 7099

💊View drug profile → proflavine
IUPACacridine-3,6-diamine
SMILESNc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKeyWDVSHHCDHLJJJR-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.55
Rot. Bonds

About acridine-3,6-diamine

acridine-3,6-diamine (PubChem CID 7099) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is acridine-3,6-diamine.

Molecular Properties

Compound Nameacridine-3,6-diamine
PubChem CID7099
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Nameacridine-3,6-diamine
SMILESNc1ccc2cc3ccc(N)cc3nc2c1
InChIInChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2
InChIKeyWDVSHHCDHLJJJR-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Acridine
CID 9215
Ethidium Bromide
CID 14710
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
3,6-Diamino-10-methylacridinium Chloride
CID 6842
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine hydrochloride
CID 8643
Propidium Iodide
CID 104981

Frequently Asked Questions

What is the IUPAC name of acridine-3,6-diamine?
The IUPAC name of acridine-3,6-diamine (CID 7099) is acridine-3,6-diamine.
What is the SMILES notation for acridine-3,6-diamine?
The canonical SMILES for acridine-3,6-diamine is Nc1ccc2cc3ccc(N)cc3nc2c1.
What is the InChIKey of acridine-3,6-diamine?
The InChIKey is WDVSHHCDHLJJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2.
What are the key properties of acridine-3,6-diamine?
acridine-3,6-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-3,6-diamine is sourced from PubChem (CID 7099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).