3-N,3-N,6-N-trimethylacridine-3,6-diamine

C16H17N3 — CID 59205810

IUPAC3-N,3-N,6-N-trimethylacridine-3,6-diamine
SMILESCNc1ccc2cc3ccc(N(C)C)cc3nc2c1
InChIInChI=1S/C16H17N3/c1-17-13-6-4-11-8-12-5-7-14(19(2)3)10-16(12)18-15(11)9-13/h4-10,17H,1-3H3
InChIKeyFOTWZQFYSBBVFR-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.50
Rot. Bonds2

About 3-N,3-N,6-N-trimethylacridine-3,6-diamine

3-N,3-N,6-N-trimethylacridine-3,6-diamine (PubChem CID 59205810) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-N,3-N,6-N-trimethylacridine-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N,6-N-trimethylacridine-3,6-diamine
PubChem CID59205810
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name3-N,3-N,6-N-trimethylacridine-3,6-diamine
SMILESCNc1ccc2cc3ccc(N(C)C)cc3nc2c1
InChIInChI=1S/C16H17N3/c1-17-13-6-4-11-8-12-5-7-14(19(2)3)10-16(12)18-15(11)9-13/h4-10,17H,1-3H3
InChIKeyFOTWZQFYSBBVFR-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tacrine
CID 1935
Dequalinium Chloride
CID 10649
Proflavine
CID 7099
Acridine
CID 9215
Ethidium Bromide
CID 14710
Acridine Orange Base
CID 62344
Acriflavine
CID 443101
Dequalinium
CID 2993
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
3,6-Diamino-10-methylacridinium Chloride
CID 6842
9-Aminoacridine hydrochloride
CID 8643

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,6-N-trimethylacridine-3,6-diamine?
The IUPAC name of 3-N,3-N,6-N-trimethylacridine-3,6-diamine (CID 59205810) is 3-N,3-N,6-N-trimethylacridine-3,6-diamine.
What is the SMILES notation for 3-N,3-N,6-N-trimethylacridine-3,6-diamine?
The canonical SMILES for 3-N,3-N,6-N-trimethylacridine-3,6-diamine is CNc1ccc2cc3ccc(N(C)C)cc3nc2c1.
What is the InChIKey of 3-N,3-N,6-N-trimethylacridine-3,6-diamine?
The InChIKey is FOTWZQFYSBBVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-17-13-6-4-11-8-12-5-7-14(19(2)3)10-16(12)18-15(11)9-13/h4-10,17H,1-3H3.
What are the key properties of 3-N,3-N,6-N-trimethylacridine-3,6-diamine?
3-N,3-N,6-N-trimethylacridine-3,6-diamine has a molecular weight of 251.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,6-N-trimethylacridine-3,6-diamine is sourced from PubChem (CID 59205810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).