9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine

C16H21N — CID 123719547

IUPAC9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine
SMILESCN1C2=CC=CCC2C(C)(C)C2=C1C=CCC2
InChIInChI=1S/C16H21N/c1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16/h4,6-7,10-12H,5,8-9H2,1-3H3
InChIKeyLTYXOORJHHLAER-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.02
Rot. Bonds

About 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine

9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine (PubChem CID 123719547) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine.

Molecular Properties

Compound Name9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine
PubChem CID123719547
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine
SMILESCN1C2=CC=CCC2C(C)(C)C2=C1C=CCC2
InChIInChI=1S/C16H21N/c1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16/h4,6-7,10-12H,5,8-9H2,1-3H3
InChIKeyLTYXOORJHHLAER-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine?
The IUPAC name of 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine (CID 123719547) is 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine.
What is the SMILES notation for 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine?
The canonical SMILES for 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine is CN1C2=CC=CCC2C(C)(C)C2=C1C=CCC2.
What is the InChIKey of 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine?
The InChIKey is LTYXOORJHHLAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16/h4,6-7,10-12H,5,8-9H2,1-3H3.
What are the key properties of 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine?
9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine has a molecular weight of 227.35 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9,10-trimethyl-1,2,8,8a-tetrahydroacridine is sourced from PubChem (CID 123719547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).