ethane;9-methyl-10-prop-2-ynylacridin-10-ium

C19H20N+ — CID 142320719

IUPACethane;9-methyl-10-prop-2-ynylacridin-10-ium
SMILESC#CC[n+]1c2ccccc2c(C)c2ccccc21.CC
InChIInChI=1S/C17H14N.C2H6/c1-3-12-18-16-10-6-4-8-14(16)13(2)15-9-5-7-11-17(15)18;1-2/h1,4-11H,12H2,2H3;1-2H3/q+1;
InChIKeyHQKAMEDLKBNVQT-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.25
Rot. Bonds1

About ethane;9-methyl-10-prop-2-ynylacridin-10-ium

ethane;9-methyl-10-prop-2-ynylacridin-10-ium (PubChem CID 142320719) has the molecular formula C19H20N+ and a molecular weight of 262.38 g/mol. Its IUPAC name is ethane;9-methyl-10-prop-2-ynylacridin-10-ium.

Molecular Properties

Compound Nameethane;9-methyl-10-prop-2-ynylacridin-10-ium
PubChem CID142320719
Molecular FormulaC19H20N+
Molecular Weight262.38 g/mol
Exact Mass262.16
IUPAC Nameethane;9-methyl-10-prop-2-ynylacridin-10-ium
SMILESC#CC[n+]1c2ccccc2c(C)c2ccccc21.CC
InChIInChI=1S/C17H14N.C2H6/c1-3-12-18-16-10-6-4-8-14(16)13(2)15-9-5-7-11-17(15)18;1-2/h1,4-11H,12H2,2H3;1-2H3/q+1;
InChIKeyHQKAMEDLKBNVQT-UHFFFAOYSA-N
XLogP4.25
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.25
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

10-ethyl-9-methylacridin-10-ium iodide
CID 172827370
3-(9-methylacridin-10-ium-10-yl)propane-1-sulfonic acid hydroxide
CID 87061490
1-ethyl-3,4-dimethylquinolin-1-ium
CID 12764668
N-(4-methylphenyl)sulfonyl-N-[4-oxo-4-[[6-oxo-6-(propan-2-ylamino)hexyl]amino]butyl]-10-prop-2-ynylacridin-10-ium-9-carboxamide
CID 145224994
1-ethyl-2-methylquinolin-1-ium-4-amine
CID 75478982
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
5,6-dimethyl-N-prop-2-ynylphenanthridin-5-ium-8-amine
CID 102464720
9-(methoxymethyl)-10-methylanthracene
CID 12579234
ethane;9-methyl-10-propylanthracene
CID 144649779
10-prop-2-ynyl-1,2,3,4-tetrahydroacridin-10-ium perchlorate
CID 22368138
ethane;9-methylanthracene;naphthalene
CID 161226057
but-1-yne;toluene
CID 160606146

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-10-prop-2-ynylacridin-10-ium?
The IUPAC name of ethane;9-methyl-10-prop-2-ynylacridin-10-ium (CID 142320719) is ethane;9-methyl-10-prop-2-ynylacridin-10-ium.
What is the SMILES notation for ethane;9-methyl-10-prop-2-ynylacridin-10-ium?
The canonical SMILES for ethane;9-methyl-10-prop-2-ynylacridin-10-ium is C#CC[n+]1c2ccccc2c(C)c2ccccc21.CC.
What is the InChIKey of ethane;9-methyl-10-prop-2-ynylacridin-10-ium?
The InChIKey is HQKAMEDLKBNVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N.C2H6/c1-3-12-18-16-10-6-4-8-14(16)13(2)15-9-5-7-11-17(15)18;1-2/h1,4-11H,12H2,2H3;1-2H3/q+1;.
What are the key properties of ethane;9-methyl-10-prop-2-ynylacridin-10-ium?
ethane;9-methyl-10-prop-2-ynylacridin-10-ium has a molecular weight of 262.38 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-10-prop-2-ynylacridin-10-ium is sourced from PubChem (CID 142320719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).