9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine

C16H21N — CID 167248967

IUPAC9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine
SMILESCN1C2=CCCC=C2C(C)(C)C2C=CC=CC21
InChIInChI=1S/C16H21N/c1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16/h4,6,8-12,14H,5,7H2,1-3H3
InChIKeyAKOZGYMQHIDTIF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.67
Rot. Bonds

About 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine

9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine (PubChem CID 167248967) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine.

Molecular Properties

Compound Name9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine
PubChem CID167248967
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine
SMILESCN1C2=CCCC=C2C(C)(C)C2C=CC=CC21
InChIInChI=1S/C16H21N/c1-16(2)12-8-4-6-10-14(12)17(3)15-11-7-5-9-13(15)16/h4,6,8-12,14H,5,7H2,1-3H3
InChIKeyAKOZGYMQHIDTIF-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
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-2,3,8a,10a-tetrahydroacridine?
The IUPAC name of 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine (CID 167248967) is 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine.
What is the SMILES notation for 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine?
The canonical SMILES for 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine is CN1C2=CCCC=C2C(C)(C)C2C=CC=CC21.
What is the InChIKey of 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine?
The InChIKey is AKOZGYMQHIDTIF-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/h4,6,8-12,14H,5,7H2,1-3H3.
What are the key properties of 9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine?
9,9,10-trimethyl-2,3,8a,10a-tetrahydroacridine has a molecular weight of 227.35 g/mol, XLogP of 3.67, 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-2,3,8a,10a-tetrahydroacridine is sourced from PubChem (CID 167248967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).