1,2,3,4,8a,9,9a,10a-octahydroacridine

C13H17N — CID 54052890

IUPAC1,2,3,4,8a,9,9a,10a-octahydroacridine
SMILESC1=CC2CC3CCCCC3=NC2C=C1
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,10-12H,2,4,6,8-9H2
InChIKeyLUEKXRNUNLWQCQ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.13
Rot. Bonds

About 1,2,3,4,8a,9,9a,10a-octahydroacridine

1,2,3,4,8a,9,9a,10a-octahydroacridine (PubChem CID 54052890) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,2,3,4,8a,9,9a,10a-octahydroacridine.

Molecular Properties

Compound Name1,2,3,4,8a,9,9a,10a-octahydroacridine
PubChem CID54052890
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,2,3,4,8a,9,9a,10a-octahydroacridine
SMILESC1=CC2CC3CCCCC3=NC2C=C1
InChIInChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1,3,5,7,10-12H,2,4,6,8-9H2
InChIKeyLUEKXRNUNLWQCQ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,4,4a,5,5a,9a,10-Octahydrobenzo[g]quinoline
CID 54082294
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),10,13-hexaene
CID 90903463
1,4,6,6a,10a,10b-Hexahydrobenzo[c][1,6]naphthyridine
CID 53805899
1,2,3,5,6,6a,10a,10b-Octahydrobenzo[f]quinoline
CID 53959657
(4aS,5aR)-2,3,4,4a,5,5a,9a,10-octahydrobenzo[g]quinoline
CID 54082293
10-Azatricyclo[7.3.1.02,7]trideca-3,5,9-triene
CID 54134840
2-Cyclohexyl-2,5-dihydropyridine
CID 54370120
2,6-Dicyclohexyl-2,5-dihydropyridine
CID 54505284
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
4-Methyl-6-(3-methylbut-1-enyl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 56635976
8-Pentyl-6,7,8,8a-tetrahydroquinoline
CID 57045796
4-Methyl-6-(3-methylbut-1-en-2-yl)-5,11-diazatetracyclo[7.6.1.02,7.012,16]hexadeca-1,4,9(16),11-tetraene
CID 57066628

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,8a,9,9a,10a-octahydroacridine?
The IUPAC name of 1,2,3,4,8a,9,9a,10a-octahydroacridine (CID 54052890) is 1,2,3,4,8a,9,9a,10a-octahydroacridine.
What is the SMILES notation for 1,2,3,4,8a,9,9a,10a-octahydroacridine?
The canonical SMILES for 1,2,3,4,8a,9,9a,10a-octahydroacridine is C1=CC2CC3CCCCC3=NC2C=C1.
What is the InChIKey of 1,2,3,4,8a,9,9a,10a-octahydroacridine?
The InChIKey is LUEKXRNUNLWQCQ-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/h1,3,5,7,10-12H,2,4,6,8-9H2.
What are the key properties of 1,2,3,4,8a,9,9a,10a-octahydroacridine?
1,2,3,4,8a,9,9a,10a-octahydroacridine has a molecular weight of 187.29 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,8a,9,9a,10a-octahydroacridine is sourced from PubChem (CID 54052890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).