trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium

C22H33N3O2+2 — CID 57439447

IUPACtrimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium
SMILESC[N+](C)(C)CCOc1ccc2c(c1)[nH]c1ccc(OCC[N+](C)(C)C)cc12
InChIInChI=1S/C22H33N3O2/c1-24(2,3)11-13-26-17-8-10-21-20(15-17)19-9-7-18(16-22(19)23-21)27-14-12-25(4,5)6/h7-10,15-16,23H,11-14H2,1-6H3/q+2
InChIKeyGSVMOAAZLOERDT-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.49
Rot. Bonds8

About trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium

trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium (PubChem CID 57439447) has the molecular formula C22H33N3O2+2 and a molecular weight of 371.53 g/mol. Its IUPAC name is trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium
PubChem CID57439447
Molecular FormulaC22H33N3O2+2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Nametrimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium
SMILESC[N+](C)(C)CCOc1ccc2c(c1)[nH]c1ccc(OCC[N+](C)(C)C)cc12
InChIInChI=1S/C22H33N3O2/c1-24(2,3)11-13-26-17-8-10-21-20(15-17)19-9-7-18(16-22(19)23-21)27-14-12-25(4,5)6/h7-10,15-16,23H,11-14H2,1-6H3/q+2
InChIKeyGSVMOAAZLOERDT-UHFFFAOYSA-N
XLogP3.49
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium with MolForge

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Related Compounds

N-ethyl-2-[[7-[2-(ethylamino)ethoxy]-9H-carbazol-2-yl]oxy]ethanamine
CID 57439411
2,6-bis[3-(methylamino)propoxy]-10H-acridin-9-one
CID 57439669
N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine
CID 10132371
3-[[7-[3-(dipropylamino)propoxy]-9H-carbazol-2-yl]oxy]-N,N-dipropylpropan-1-amine
CID 57439420
2,6-bis[3-(ethylamino)propoxy]-10H-acridin-9-one
CID 57439670
3,8-bis[2-(dimethylamino)ethoxy]-5H-phenanthridin-6-one
CID 57439762
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
2,6-bis[2-(azetidin-1-yl)ethoxy]-10H-acridin-9-one
CID 11406725
2-octoxy-10H-acridin-9-one
CID 611041
3-[2-(oxiran-2-yl)ethoxy]-9H-carbazole
CID 72711827
trimethyl-[2-[[7-[2-(trimethylazaniumyl)ethoxy]-9H-fluoren-2-yl]oxy]ethyl]azanium
CID 11545195
2,7-diethoxy-10H-acridin-9-one
CID 163923657

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium?
The IUPAC name of trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium (CID 57439447) is trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium?
The canonical SMILES for trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium is C[N+](C)(C)CCOc1ccc2c(c1)[nH]c1ccc(OCC[N+](C)(C)C)cc12.
What is the InChIKey of trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium?
The InChIKey is GSVMOAAZLOERDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-24(2,3)11-13-26-17-8-10-21-20(15-17)19-9-7-18(16-22(19)23-21)27-14-12-25(4,5)6/h7-10,15-16,23H,11-14H2,1-6H3/q+2.
What are the key properties of trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium?
trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium has a molecular weight of 371.53 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-[2-(trimethylazaniumyl)ethoxy]-9H-carbazol-2-yl]oxy]ethyl]azanium is sourced from PubChem (CID 57439447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).