(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine

C14H19N — CID 129413587

IUPAC(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
SMILESC[C@H]1c2ccccc2N[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H19N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2,4,6,8,10,12,14-15H,3,5,7,9H2,1H3/t10-,12-,14-/m0/s1
InChIKeyYMGOFNJKTUNTOA-JKOKRWQUSA-N
MW201.31 g/mol
LogP3.77
Rot. Bonds

About (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine

(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine (PubChem CID 129413587) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine.

Molecular Properties

Compound Name(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
PubChem CID129413587
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
SMILESC[C@H]1c2ccccc2N[C@H]2CCCC[C@H]21
InChIInChI=1S/C14H19N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2,4,6,8,10,12,14-15H,3,5,7,9H2,1H3/t10-,12-,14-/m0/s1
InChIKeyYMGOFNJKTUNTOA-JKOKRWQUSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine with MolForge

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Related Compounds

9-methyl-2,3,3a,4,9,9a-hexahydro-1H-pyrrolo[3,4-b]quinoline
CID 18071403
1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxylic acid
CID 84694667
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
N-butyl-1,2,3,4,4a,9,9a,10-octahydroacridine-9-carboxamide
CID 86810383
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 135040904
(10aS)-7-methyl-5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole
CID 129109613
(3R,3aR,7aS)-3-methyl-1,3,3a,4,5,6,7,7a-octahydroindol-2-one
CID 131041871
(8bR)-1,2,3,3a,4,8b-hexahydropyrrolo[3,4-b]indole;ethane
CID 91464467
3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106820245
2-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 3724874
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853
1,3,4,4a,5,9b-hexahydrothiopyrano[4,3-b]indole
CID 58171102

Frequently Asked Questions

What is the IUPAC name of (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
The IUPAC name of (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine (CID 129413587) is (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine.
What is the SMILES notation for (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
The canonical SMILES for (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine is C[C@H]1c2ccccc2N[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
The InChIKey is YMGOFNJKTUNTOA-JKOKRWQUSA-N. The full InChI is InChI=1S/C14H19N/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14/h2,4,6,8,10,12,14-15H,3,5,7,9H2,1H3/t10-,12-,14-/m0/s1.
What are the key properties of (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine has a molecular weight of 201.31 g/mol, XLogP of 3.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine is sourced from PubChem (CID 129413587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).