10-propan-2-ylacridin-10-ium

C16H16N+ — CID 101440636

IUPAC10-propan-2-ylacridin-10-ium
SMILESCC(C)[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C16H16N/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3/q+1
InChIKeyOMEBCUBHEWKGHZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.86
Rot. Bonds1

About 10-propan-2-ylacridin-10-ium

10-propan-2-ylacridin-10-ium (PubChem CID 101440636) has the molecular formula C16H16N+ and a molecular weight of 222.31 g/mol. Its IUPAC name is 10-propan-2-ylacridin-10-ium.

Molecular Properties

Compound Name10-propan-2-ylacridin-10-ium
PubChem CID101440636
Molecular FormulaC16H16N+
Molecular Weight222.31 g/mol
Exact Mass222.13
IUPAC Name10-propan-2-ylacridin-10-ium
SMILESCC(C)[n+]1c2ccccc2cc2ccccc21
InChIInChI=1S/C16H16N/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3/q+1
InChIKeyOMEBCUBHEWKGHZ-UHFFFAOYSA-N
XLogP3.86
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

anthracene;2-methylpropane
CID 142471530
9-chloro-10-propan-2-ylacridin-10-ium
CID 90900472
1-acridin-10-ium-10-ylpropane-1-sulfonic acid
CID 19939028
1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
CID 144871797
2,10-dimethylacridin-10-ium
CID 25896
ethane;1-hydroxy-2-methyl-3-propan-2-ylquinolin-1-ium
CID 144871796
3-(2-methylpropoxy)-1-propan-2-ylquinolin-1-ium
CID 155615473
anthracene;ethane;naphthalene
CID 159079166
ethane;pentacene
CID 91470616
ethane;1-methyl-3-(2-methylpropyl)quinolin-1-ium
CID 155692555
2-(naphthalen-2-yloxymethyl)-3-propan-2-yl-1H-benzimidazol-3-ium
CID 5211135
lithium anthracene
CID 22662646

Frequently Asked Questions

What is the IUPAC name of 10-propan-2-ylacridin-10-ium?
The IUPAC name of 10-propan-2-ylacridin-10-ium (CID 101440636) is 10-propan-2-ylacridin-10-ium.
What is the SMILES notation for 10-propan-2-ylacridin-10-ium?
The canonical SMILES for 10-propan-2-ylacridin-10-ium is CC(C)[n+]1c2ccccc2cc2ccccc21.
What is the InChIKey of 10-propan-2-ylacridin-10-ium?
The InChIKey is OMEBCUBHEWKGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N/c1-12(2)17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,1-2H3/q+1.
What are the key properties of 10-propan-2-ylacridin-10-ium?
10-propan-2-ylacridin-10-ium has a molecular weight of 222.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-ylacridin-10-ium is sourced from PubChem (CID 101440636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).