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

C14H19N — CID 135040904

IUPAC1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
SMILESCC1CCCC2Nc3ccccc3CC12
InChIInChI=1S/C14H19N/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14/h2-3,6-7,10,12,14-15H,4-5,8-9H2,1H3
InChIKeySQGQWJKTJKWFAY-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.46
Rot. Bonds

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

1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine (PubChem CID 135040904) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine.

Molecular Properties

Compound Name1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
PubChem CID135040904
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
SMILESCC1CCCC2Nc3ccccc3CC12
InChIInChI=1S/C14H19N/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14/h2-3,6-7,10,12,14-15H,4-5,8-9H2,1H3
InChIKeySQGQWJKTJKWFAY-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2S,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoline
CID 102507922
2-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 11031290
(2R)-2-methyl-2,3-dihydro-1H-indole;hydrochloride
CID 155819591
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811
2-cycloheptyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 106781039
(4aS,9R,9aS)-9-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine
CID 129413587
(2R,3R)-2-ethyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 15312191
N-(2-methylcyclopentyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76993656
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139326096
2-(1,3-dioxolan-2-yl)-2,3-dihydro-1H-indole
CID 91804990
2-prop-1-enyl-2,3-dihydro-1H-indole
CID 131872139

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
The IUPAC name of 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine (CID 135040904) is 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine.
What is the SMILES notation for 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
The canonical SMILES for 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine is CC1CCCC2Nc3ccccc3CC12.
What is the InChIKey of 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
The InChIKey is SQGQWJKTJKWFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10-5-4-8-14-12(10)9-11-6-2-3-7-13(11)15-14/h2-3,6-7,10,12,14-15H,4-5,8-9H2,1H3.
What are the key properties of 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine?
1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine has a molecular weight of 201.31 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2,3,4,4a,9,9a,10-octahydroacridine is sourced from PubChem (CID 135040904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).