3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

C20H29NO2 — CID 4083140

IUPAC3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC(C)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H29NO2/c1-11(2)16-17-12(7-19(3,4)9-14(17)22)21-13-8-20(5,6)10-15(23)18(13)16/h11,16,21H,7-10H2,1-6H3
InChIKeyICXDDCVWUSRQQZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.15
Rot. Bonds1

About 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 4083140) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID4083140
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC(C)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H29NO2/c1-11(2)16-17-12(7-19(3,4)9-14(17)22)21-13-8-20(5,6)10-15(23)18(13)16/h11,16,21H,7-10H2,1-6H3
InChIKeyICXDDCVWUSRQQZ-UHFFFAOYSA-N
XLogP4.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 4083140) is 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is CC(C)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is ICXDDCVWUSRQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-11(2)16-17-12(7-19(3,4)9-14(17)22)21-13-8-20(5,6)10-15(23)18(13)16/h11,16,21H,7-10H2,1-6H3.
What are the key properties of 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 315.46 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-propan-2-yl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 4083140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).