1,4,4a,5,6,7,9,9a-octahydroacridine

C13H17N — CID 91181236

IUPAC1,4,4a,5,6,7,9,9a-octahydroacridine
SMILESC1=CCC2N=C3CCCC=C3CC2C1
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,6,10,12H,2,4-5,7-9H2
InChIKeyFGDQYHJKLMDAOB-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.28
Rot. Bonds

About 1,4,4a,5,6,7,9,9a-octahydroacridine

1,4,4a,5,6,7,9,9a-octahydroacridine (PubChem CID 91181236) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,4,4a,5,6,7,9,9a-octahydroacridine.

Molecular Properties

Compound Name1,4,4a,5,6,7,9,9a-octahydroacridine
PubChem CID91181236
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,4,4a,5,6,7,9,9a-octahydroacridine
SMILESC1=CCC2N=C3CCCC=C3CC2C1
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,6,10,12H,2,4-5,7-9H2
InChIKeyFGDQYHJKLMDAOB-UHFFFAOYSA-N
XLogP3.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,4,4a,5,6,7,9,9a-octahydroacridine 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

2,3,4,4a,5,6-Hexahydroquinoline
CID 11062444
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
3a,4,8,9,9a,9b-hexahydro-3H-pyrrolo[3,2-c]quinoline
CID 91047369
5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 102519273
3a,7,8,8a,9,9a-hexahydro-3H-cyclopenta[b]quinoline
CID 123552988
(7R)-7-methyl-2,3,4,6,7,8-hexahydroquinoline
CID 135034300
N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
(2R)-5-methyl-2-(6-methylhept-5-en-2-yl)-3,4-dihydro-2H-pyrrole
CID 155937170
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
CID 15920836
6-Cyclohept-4-en-1-yl-2,3,4,5-tetrahydropyridine
CID 53724743
1,2,3,5,6,6a,10a,10b-Octahydrobenzo[f]quinoline
CID 53959657

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,5,6,7,9,9a-octahydroacridine?
The IUPAC name of 1,4,4a,5,6,7,9,9a-octahydroacridine (CID 91181236) is 1,4,4a,5,6,7,9,9a-octahydroacridine.
What is the SMILES notation for 1,4,4a,5,6,7,9,9a-octahydroacridine?
The canonical SMILES for 1,4,4a,5,6,7,9,9a-octahydroacridine is C1=CCC2N=C3CCCC=C3CC2C1.
What is the InChIKey of 1,4,4a,5,6,7,9,9a-octahydroacridine?
The InChIKey is FGDQYHJKLMDAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,6,10,12H,2,4-5,7-9H2.
What are the key properties of 1,4,4a,5,6,7,9,9a-octahydroacridine?
1,4,4a,5,6,7,9,9a-octahydroacridine has a molecular weight of 187.29 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,6,7,9,9a-octahydroacridine is sourced from PubChem (CID 91181236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).