3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine

C17H25N — CID 3343815

IUPAC3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine
SMILESCC1CCC2C(C1)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C17H25N/c1-12-9-10-14-16(11-12)18(4)15-8-6-5-7-13(15)17(14,2)3/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyMARFNKAQWXTSLE-UHFFFAOYSA-N
MW243.39 g/mol
LogP4.22
Rot. Bonds

About 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine

3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine (PubChem CID 3343815) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine.

Molecular Properties

Compound Name3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine
PubChem CID3343815
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine
SMILESCC1CCC2C(C1)N(C)c1ccccc1C2(C)C
InChIInChI=1S/C17H25N/c1-12-9-10-14-16(11-12)18(4)15-8-6-5-7-13(15)17(14,2)3/h5-8,12,14,16H,9-11H2,1-4H3
InChIKeyMARFNKAQWXTSLE-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine?
The IUPAC name of 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine (CID 3343815) is 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine.
What is the SMILES notation for 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine?
The canonical SMILES for 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine is CC1CCC2C(C1)N(C)c1ccccc1C2(C)C.
What is the InChIKey of 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine?
The InChIKey is MARFNKAQWXTSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-9-10-14-16(11-12)18(4)15-8-6-5-7-13(15)17(14,2)3/h5-8,12,14,16H,9-11H2,1-4H3.
What are the key properties of 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine?
3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine has a molecular weight of 243.39 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,9,10-tetramethyl-1,2,3,4,4a,9a-hexahydroacridine is sourced from PubChem (CID 3343815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).