1,2,3,4,4a,5-hexahydroacridine

C13H15N — CID 174220981

IUPAC1,2,3,4,4a,5-hexahydroacridine
SMILESC1=CCC2=NC3CCCCC3=CC2=C1
InChIInChI=1S/C13H15N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,9,13H,2,4,6-8H2
InChIKeyTWJAPWZNZVNHRP-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.20
Rot. Bonds

About 1,2,3,4,4a,5-hexahydroacridine

1,2,3,4,4a,5-hexahydroacridine (PubChem CID 174220981) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 1,2,3,4,4a,5-hexahydroacridine.

Molecular Properties

Compound Name1,2,3,4,4a,5-hexahydroacridine
PubChem CID174220981
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name1,2,3,4,4a,5-hexahydroacridine
SMILESC1=CCC2=NC3CCCCC3=CC2=C1
InChIInChI=1S/C13H15N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,9,13H,2,4,6-8H2
InChIKeyTWJAPWZNZVNHRP-UHFFFAOYSA-N
XLogP3.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,3,4,4a,5-hexahydroacridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5-hexahydroacridine?
The IUPAC name of 1,2,3,4,4a,5-hexahydroacridine (CID 174220981) is 1,2,3,4,4a,5-hexahydroacridine.
What is the SMILES notation for 1,2,3,4,4a,5-hexahydroacridine?
The canonical SMILES for 1,2,3,4,4a,5-hexahydroacridine is C1=CCC2=NC3CCCCC3=CC2=C1.
What is the InChIKey of 1,2,3,4,4a,5-hexahydroacridine?
The InChIKey is TWJAPWZNZVNHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,9,13H,2,4,6-8H2.
What are the key properties of 1,2,3,4,4a,5-hexahydroacridine?
1,2,3,4,4a,5-hexahydroacridine has a molecular weight of 185.27 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5-hexahydroacridine is sourced from PubChem (CID 174220981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).