10-methyl-4a,9a-dihydroacridin-10-ium

C14H14N+ — CID 135024985

IUPAC10-methyl-4a,9a-dihydroacridin-10-ium
SMILESC[N+]1=c2ccccc2=CC2C=CC=CC21
InChIInChI=1S/C14H14N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-11,13H,1H3/q+1
InChIKeyIJHVTIWDJXTNLX-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.71
Rot. Bonds

About 10-methyl-4a,9a-dihydroacridin-10-ium

10-methyl-4a,9a-dihydroacridin-10-ium (PubChem CID 135024985) has the molecular formula C14H14N+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 10-methyl-4a,9a-dihydroacridin-10-ium.

Molecular Properties

Compound Name10-methyl-4a,9a-dihydroacridin-10-ium
PubChem CID135024985
Molecular FormulaC14H14N+
Molecular Weight196.27 g/mol
Exact Mass196.11
IUPAC Name10-methyl-4a,9a-dihydroacridin-10-ium
SMILESC[N+]1=c2ccccc2=CC2C=CC=CC21
InChIInChI=1S/C14H14N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-11,13H,1H3/q+1
InChIKeyIJHVTIWDJXTNLX-UHFFFAOYSA-N
XLogP0.71
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4a,9a-Dihydroacridine
CID 89376300
7-Fluoro-3-methyl-2-prop-1-enyl-2,3-dihydroquinoline
CID 91172116
5-Ethyl-4a,10a-dihydrophenazin-5-ium
CID 138969017
1,2,2,3-tetramethyl-3H-quinolin-1-ium
CID 139243633
2,3,4-Trimethyl-2,3-dihydroquinoline
CID 20469210
1,2,9a,10a-Tetrahydroacridine
CID 54486130
2-Ethyl-4a,8a-dihydroquinoline
CID 59921116
2-Methyl-2,3-dihydroquinoline
CID 68021362
2-Methyl-4a,8a-dihydroquinoline
CID 68248106
7-Methyl-4a,9a-dihydroacridine
CID 68383846
2,7-Dimethyl-2,3-dihydroquinoline
CID 89003703
(2S)-2-methyl-2,3-dihydroquinoline
CID 89066186

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4a,9a-dihydroacridin-10-ium?
The IUPAC name of 10-methyl-4a,9a-dihydroacridin-10-ium (CID 135024985) is 10-methyl-4a,9a-dihydroacridin-10-ium.
What is the SMILES notation for 10-methyl-4a,9a-dihydroacridin-10-ium?
The canonical SMILES for 10-methyl-4a,9a-dihydroacridin-10-ium is C[N+]1=c2ccccc2=CC2C=CC=CC21.
What is the InChIKey of 10-methyl-4a,9a-dihydroacridin-10-ium?
The InChIKey is IJHVTIWDJXTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N/c1-15-13-8-4-2-6-11(13)10-12-7-3-5-9-14(12)15/h2-11,13H,1H3/q+1.
What are the key properties of 10-methyl-4a,9a-dihydroacridin-10-ium?
10-methyl-4a,9a-dihydroacridin-10-ium has a molecular weight of 196.27 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4a,9a-dihydroacridin-10-ium is sourced from PubChem (CID 135024985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).