1,2,9a,10a-tetrahydroacridine

C13H13N — CID 54486130

IUPAC1,2,9a,10a-tetrahydroacridine
SMILESC1=CC2=CC3CCC=CC3=NC2C=C1
InChIInChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3-5,7-9,11-12H,2,6H2
InChIKeyXSKXSHJLEWQPEH-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.83
Rot. Bonds

About 1,2,9a,10a-tetrahydroacridine

1,2,9a,10a-tetrahydroacridine (PubChem CID 54486130) has the molecular formula C13H13N and a molecular weight of 183.25 g/mol. Its IUPAC name is 1,2,9a,10a-tetrahydroacridine.

Molecular Properties

Compound Name1,2,9a,10a-tetrahydroacridine
PubChem CID54486130
Molecular FormulaC13H13N
Molecular Weight183.25 g/mol
Exact Mass183.10
IUPAC Name1,2,9a,10a-tetrahydroacridine
SMILESC1=CC2=CC3CCC=CC3=NC2C=C1
InChIInChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3-5,7-9,11-12H,2,6H2
InChIKeyXSKXSHJLEWQPEH-UHFFFAOYSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,9a,10a-tetrahydroacridine with MolForge

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

Launch Full Analysis

Related Compounds

Tetrahydro 3h cyclopenta[c]quinoline
CID 66841971
4a,9a-Dihydroacridine
CID 89376300
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
7-Fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
CID 91172116
3-Fluoro-5-propan-2-yl-2,3-dihydroquinoline
CID 163719688
(10aR,10bS)-10a,10b-dihydrobenzo[h]quinoline
CID 134855711
10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985
6,7-Difluoro-5-methyl-1,2,3,4,5,10a-hexahydroacridine
CID 164015386
2,3,4,4a-Tetrahydroquinoline
CID 20394214
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
8-Methyl-4a,8a-dihydroquinoline
CID 20772220
2,8-Dihydroquinoline
CID 53423727

Frequently Asked Questions

What is the IUPAC name of 1,2,9a,10a-tetrahydroacridine?
The IUPAC name of 1,2,9a,10a-tetrahydroacridine (CID 54486130) is 1,2,9a,10a-tetrahydroacridine.
What is the SMILES notation for 1,2,9a,10a-tetrahydroacridine?
The canonical SMILES for 1,2,9a,10a-tetrahydroacridine is C1=CC2=CC3CCC=CC3=NC2C=C1.
What is the InChIKey of 1,2,9a,10a-tetrahydroacridine?
The InChIKey is XSKXSHJLEWQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3-5,7-9,11-12H,2,6H2.
What are the key properties of 1,2,9a,10a-tetrahydroacridine?
1,2,9a,10a-tetrahydroacridine has a molecular weight of 183.25 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,9a,10a-tetrahydroacridine is sourced from PubChem (CID 54486130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).