3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine

C28H27N3 — CID 19825849

IUPAC3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine
SMILESCC1c2ccc(NCc3ccccc3)cc2Nc2cc(NCc3ccccc3)ccc21
InChIInChI=1S/C28H27N3/c1-20-25-14-12-23(29-18-21-8-4-2-5-9-21)16-27(25)31-28-17-24(13-15-26(20)28)30-19-22-10-6-3-7-11-22/h2-17,20,29-31H,18-19H2,1H3
InChIKeyMRYJJXCIAMMPCS-UHFFFAOYSA-N
MW405.55 g/mol
LogP7.12
Rot. Bonds6

About 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine

3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine (PubChem CID 19825849) has the molecular formula C28H27N3 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine.

Molecular Properties

Compound Name3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine
PubChem CID19825849
Molecular FormulaC28H27N3
Molecular Weight405.55 g/mol
Exact Mass405.22
IUPAC Name3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine
SMILESCC1c2ccc(NCc3ccccc3)cc2Nc2cc(NCc3ccccc3)ccc21
InChIInChI=1S/C28H27N3/c1-20-25-14-12-23(29-18-21-8-4-2-5-9-21)16-27(25)31-28-17-24(13-15-26(20)28)30-19-22-10-6-3-7-11-22/h2-17,20,29-31H,18-19H2,1H3
InChIKeyMRYJJXCIAMMPCS-UHFFFAOYSA-N
XLogP7.12
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.55
LogP ≤ 57.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine?
The IUPAC name of 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine (CID 19825849) is 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine.
What is the SMILES notation for 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine?
The canonical SMILES for 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine is CC1c2ccc(NCc3ccccc3)cc2Nc2cc(NCc3ccccc3)ccc21.
What is the InChIKey of 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine?
The InChIKey is MRYJJXCIAMMPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3/c1-20-25-14-12-23(29-18-21-8-4-2-5-9-21)16-27(25)31-28-17-24(13-15-26(20)28)30-19-22-10-6-3-7-11-22/h2-17,20,29-31H,18-19H2,1H3.
What are the key properties of 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine?
3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine has a molecular weight of 405.55 g/mol, XLogP of 7.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,6-N-dibenzyl-9-methyl-9,10-dihydroacridine-3,6-diamine is sourced from PubChem (CID 19825849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).