10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C22H33NO2 — CID 10712429

IUPAC10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCCCN1C2=C(C(=O)CC(C)(C)C2)C(C)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C22H33NO2/c1-7-8-9-23-15-10-21(3,4)12-17(24)19(15)14(2)20-16(23)11-22(5,6)13-18(20)25/h14H,7-13H2,1-6H3
InChIKeyYGWQQAXRIVSJNC-UHFFFAOYSA-N
MW343.51 g/mol
LogP5.02
Rot. Bonds3

About 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 10712429) has the molecular formula C22H33NO2 and a molecular weight of 343.51 g/mol. Its IUPAC name is 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID10712429
Molecular FormulaC22H33NO2
Molecular Weight343.51 g/mol
Exact Mass343.25
IUPAC Name10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCCCN1C2=C(C(=O)CC(C)(C)C2)C(C)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C22H33NO2/c1-7-8-9-23-15-10-21(3,4)12-17(24)19(15)14(2)20-16(23)11-22(5,6)13-18(20)25/h14H,7-13H2,1-6H3
InChIKeyYGWQQAXRIVSJNC-UHFFFAOYSA-N
XLogP5.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.51
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 10712429) is 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCCCN1C2=C(C(=O)CC(C)(C)C2)C(C)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is YGWQQAXRIVSJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO2/c1-7-8-9-23-15-10-21(3,4)12-17(24)19(15)14(2)20-16(23)11-22(5,6)13-18(20)25/h14H,7-13H2,1-6H3.
What are the key properties of 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 343.51 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-3,3,6,6,9-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 10712429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).