acridine;ethane

C17H21N — CID 123684759

IUPACacridine;ethane
SMILESCC.CC.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.2C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*1-2/h1-9H;2*1-2H3
InChIKeyDXBFKTBSVUKVDD-UHFFFAOYSA-N
MW239.36 g/mol
LogP5.44
Rot. Bonds

About acridine;ethane

acridine;ethane (PubChem CID 123684759) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is acridine;ethane.

Molecular Properties

Compound Nameacridine;ethane
PubChem CID123684759
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Nameacridine;ethane
SMILESCC.CC.c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C13H9N.2C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*1-2/h1-9H;2*1-2H3
InChIKeyDXBFKTBSVUKVDD-UHFFFAOYSA-N
XLogP5.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.36
LogP ≤ 55.44
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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Related Compounds

acridine
CID 21226281
acridine;methane
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CID 172843020
acridine;argon
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CID 6451416
acridine;heptane
CID 158562494
N,N-dimethylacridin-3-amine
CID 15294363
acridine;2-methylaniline
CID 174440557
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CID 21276006
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CID 69479066

Frequently Asked Questions

What is the IUPAC name of acridine;ethane?
The IUPAC name of acridine;ethane (CID 123684759) is acridine;ethane.
What is the SMILES notation for acridine;ethane?
The canonical SMILES for acridine;ethane is CC.CC.c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of acridine;ethane?
The InChIKey is DXBFKTBSVUKVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N.2C2H6/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;2*1-2/h1-9H;2*1-2H3.
What are the key properties of acridine;ethane?
acridine;ethane has a molecular weight of 239.36 g/mol, XLogP of 5.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acridine;ethane is sourced from PubChem (CID 123684759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).