9-tert-butyl-3,6-dimethylacridine

C19H21N — CID 159242363

IUPAC9-tert-butyl-3,6-dimethylacridine
SMILESCc1ccc2c(C(C)(C)C)c3ccc(C)cc3nc2c1
InChIInChI=1S/C19H21N/c1-12-6-8-14-16(10-12)20-17-11-13(2)7-9-15(17)18(14)19(3,4)5/h6-11H,1-5H3
InChIKeyYSLXJOZMGKFMMC-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.30
Rot. Bonds

About 9-tert-butyl-3,6-dimethylacridine

9-tert-butyl-3,6-dimethylacridine (PubChem CID 159242363) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 9-tert-butyl-3,6-dimethylacridine.

Molecular Properties

Compound Name9-tert-butyl-3,6-dimethylacridine
PubChem CID159242363
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name9-tert-butyl-3,6-dimethylacridine
SMILESCc1ccc2c(C(C)(C)C)c3ccc(C)cc3nc2c1
InChIInChI=1S/C19H21N/c1-12-6-8-14-16(10-12)20-17-11-13(2)7-9-15(17)18(14)19(3,4)5/h6-11H,1-5H3
InChIKeyYSLXJOZMGKFMMC-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-tert-butyl-3,4,6-trimethylacridine
CID 160660304
9-tert-butyl-2,3,7-trimethylacridine
CID 157493944
4-tert-butyl-7-methylquinolin-3-amine
CID 105468035
4-tert-butyl-3-fluoro-7-methylquinoline
CID 105471465
9-tert-butyl-1,3,7-trimethylacridine
CID 159196229
(4-tert-butyl-7-methylquinolin-3-yl)methanamine
CID 105485981
2-tert-butyl-7-methylquinoline-4-carboxylic acid
CID 82184128
2,7-dimethylquinazolin-4-amine
CID 59095817
9-tert-butyl-1,4,7-trimethylacridine
CID 159196230
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
7-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 24947251

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-3,6-dimethylacridine?
The IUPAC name of 9-tert-butyl-3,6-dimethylacridine (CID 159242363) is 9-tert-butyl-3,6-dimethylacridine.
What is the SMILES notation for 9-tert-butyl-3,6-dimethylacridine?
The canonical SMILES for 9-tert-butyl-3,6-dimethylacridine is Cc1ccc2c(C(C)(C)C)c3ccc(C)cc3nc2c1.
What is the InChIKey of 9-tert-butyl-3,6-dimethylacridine?
The InChIKey is YSLXJOZMGKFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-12-6-8-14-16(10-12)20-17-11-13(2)7-9-15(17)18(14)19(3,4)5/h6-11H,1-5H3.
What are the key properties of 9-tert-butyl-3,6-dimethylacridine?
9-tert-butyl-3,6-dimethylacridine has a molecular weight of 263.38 g/mol, XLogP of 5.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-3,6-dimethylacridine is sourced from PubChem (CID 159242363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).