1-octyl-1,2,3,4-tetrahydroacridine

C21H29N — CID 54330566

IUPAC1-octyl-1,2,3,4-tetrahydroacridine
SMILESCCCCCCCCC1CCCc2nc3ccccc3cc21
InChIInChI=1S/C21H29N/c1-2-3-4-5-6-7-11-17-13-10-15-21-19(17)16-18-12-8-9-14-20(18)22-21/h8-9,12,14,16-17H,2-7,10-11,13,15H2,1H3
InChIKeyAJWHKLKGTXTTMZ-UHFFFAOYSA-N
MW295.47 g/mol
LogP6.41
Rot. Bonds7

About 1-octyl-1,2,3,4-tetrahydroacridine

1-octyl-1,2,3,4-tetrahydroacridine (PubChem CID 54330566) has the molecular formula C21H29N and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-octyl-1,2,3,4-tetrahydroacridine.

Molecular Properties

Compound Name1-octyl-1,2,3,4-tetrahydroacridine
PubChem CID54330566
Molecular FormulaC21H29N
Molecular Weight295.47 g/mol
Exact Mass295.23
IUPAC Name1-octyl-1,2,3,4-tetrahydroacridine
SMILESCCCCCCCCC1CCCc2nc3ccccc3cc21
InChIInChI=1S/C21H29N/c1-2-3-4-5-6-7-11-17-13-10-15-21-19(17)16-18-12-8-9-14-20(18)22-21/h8-9,12,14,16-17H,2-7,10-11,13,15H2,1H3
InChIKeyAJWHKLKGTXTTMZ-UHFFFAOYSA-N
XLogP6.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.47
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-octyl-1,2,3,4-tetrahydroacridine?
The IUPAC name of 1-octyl-1,2,3,4-tetrahydroacridine (CID 54330566) is 1-octyl-1,2,3,4-tetrahydroacridine.
What is the SMILES notation for 1-octyl-1,2,3,4-tetrahydroacridine?
The canonical SMILES for 1-octyl-1,2,3,4-tetrahydroacridine is CCCCCCCCC1CCCc2nc3ccccc3cc21.
What is the InChIKey of 1-octyl-1,2,3,4-tetrahydroacridine?
The InChIKey is AJWHKLKGTXTTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N/c1-2-3-4-5-6-7-11-17-13-10-15-21-19(17)16-18-12-8-9-14-20(18)22-21/h8-9,12,14,16-17H,2-7,10-11,13,15H2,1H3.
What are the key properties of 1-octyl-1,2,3,4-tetrahydroacridine?
1-octyl-1,2,3,4-tetrahydroacridine has a molecular weight of 295.47 g/mol, XLogP of 6.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octyl-1,2,3,4-tetrahydroacridine is sourced from PubChem (CID 54330566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).