1,2,3,4,7,8,9,9a-octahydroacridine

C13H17N — CID 90876249

IUPAC1,2,3,4,7,8,9,9a-octahydroacridine
SMILESC1=CC2=C(CC1)CC1CCCCC1=N2
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h3,7,11H,1-2,4-6,8-9H2
InChIKeyRTAZSLFVFXNJAF-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.63
Rot. Bonds

About 1,2,3,4,7,8,9,9a-octahydroacridine

1,2,3,4,7,8,9,9a-octahydroacridine (PubChem CID 90876249) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2,3,4,7,8,9,9a-octahydroacridine.

Molecular Properties

Compound Name1,2,3,4,7,8,9,9a-octahydroacridine
PubChem CID90876249
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,7,8,9,9a-octahydroacridine
SMILESC1=CC2=C(CC1)CC1CCCCC1=N2
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h3,7,11H,1-2,4-6,8-9H2
InChIKeyRTAZSLFVFXNJAF-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Hexahydrobenzo[a]acridine
CID 129743703
6-(trifluoromethyl)-2,3,4,4a,5,6-hexahydro-1H-carbazole
CID 126645507
2,5-Dimethyl-3-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
CID 155258780
2-methyl-5-methylidene-3-propan-2-yl-7-(trifluoromethyl)-4,6-dihydro-3H-quinoline
CID 162619395
Octahydrobenz[c]acridine
CID 129784401
Hexahydro-5h-indolo[3,2-c]acridine
CID 132493843
Hexahydrobenzo[c]acridine
CID 168266458
(3R)-3-ethyl-2,5-dimethyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
CID 162619407
(4R)-2-methyl-4-propyl-7-(trifluoromethyl)-3,4,5,6-tetrahydroquinoline
CID 162619416
1,2,3,4,8a,9,9a,10a-Octahydroacridine
CID 54052890
1,2,3,4,6,7,8,10b-Octahydrophenanthridine
CID 57323299
3-cyclohexyl-2-methyl-6H-indole
CID 69721405

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,7,8,9,9a-octahydroacridine?
The IUPAC name of 1,2,3,4,7,8,9,9a-octahydroacridine (CID 90876249) is 1,2,3,4,7,8,9,9a-octahydroacridine.
What is the SMILES notation for 1,2,3,4,7,8,9,9a-octahydroacridine?
The canonical SMILES for 1,2,3,4,7,8,9,9a-octahydroacridine is C1=CC2=C(CC1)CC1CCCCC1=N2.
What is the InChIKey of 1,2,3,4,7,8,9,9a-octahydroacridine?
The InChIKey is RTAZSLFVFXNJAF-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/h3,7,11H,1-2,4-6,8-9H2.
What are the key properties of 1,2,3,4,7,8,9,9a-octahydroacridine?
1,2,3,4,7,8,9,9a-octahydroacridine has a molecular weight of 187.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,7,8,9,9a-octahydroacridine is sourced from PubChem (CID 90876249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).