9-butylacridine

C17H17N — CID 606127

IUPAC9-butylacridine
SMILESCCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H17N/c1-2-3-8-13-14-9-4-6-11-16(14)18-17-12-7-5-10-15(13)17/h4-7,9-12H,2-3,8H2,1H3
InChIKeyKHUOVNYGHHFONO-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.73
Rot. Bonds3

About 9-butylacridine

9-butylacridine (PubChem CID 606127) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 9-butylacridine.

Molecular Properties

Compound Name9-butylacridine
PubChem CID606127
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name9-butylacridine
SMILESCCCCc1c2ccccc2nc2ccccc12
InChIInChI=1S/C17H17N/c1-2-3-8-13-14-9-4-6-11-16(14)18-17-12-7-5-10-15(13)17/h4-7,9-12H,2-3,8H2,1H3
InChIKeyKHUOVNYGHHFONO-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-butylacridine?
The IUPAC name of 9-butylacridine (CID 606127) is 9-butylacridine.
What is the SMILES notation for 9-butylacridine?
The canonical SMILES for 9-butylacridine is CCCCc1c2ccccc2nc2ccccc12.
What is the InChIKey of 9-butylacridine?
The InChIKey is KHUOVNYGHHFONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-3-8-13-14-9-4-6-11-16(14)18-17-12-7-5-10-15(13)17/h4-7,9-12H,2-3,8H2,1H3.
What are the key properties of 9-butylacridine?
9-butylacridine has a molecular weight of 235.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butylacridine is sourced from PubChem (CID 606127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).