1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane

C15H33N2+ — CID 123632627

IUPAC1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane
SMILESCC[N+]1(C)CCCCCCCNCCCCC1
InChIInChI=1S/C15H33N2/c1-3-17(2)14-10-6-4-5-8-12-16-13-9-7-11-15-17/h16H,3-15H2,1-2H3/q+1
InChIKeyXXLUUVIUTSFEIK-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.18
Rot. Bonds1

About 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane

1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane (PubChem CID 123632627) has the molecular formula C15H33N2+ and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane.

Molecular Properties

Compound Name1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane
PubChem CID123632627
Molecular FormulaC15H33N2+
Molecular Weight241.44 g/mol
Exact Mass241.26
IUPAC Name1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane
SMILESCC[N+]1(C)CCCCCCCNCCCCC1
InChIInChI=1S/C15H33N2/c1-3-17(2)14-10-6-4-5-8-12-16-13-9-7-11-15-17/h16H,3-15H2,1-2H3/q+1
InChIKeyXXLUUVIUTSFEIK-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
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1-ethyl-1-methylpyrrolidin-1-ium fluoride
CID 67241835
1-ethyl-1,9,9-trimethyl-1,9-diazoniacyclooctadecane
CID 54262537
1-decyl-1-methylpyrrolidin-1-ium;pyrrolidine;bromide;hydrobromide
CID 173426187
ethanethiol;piperidine
CID 157114701
ethane;propane;pyrrolidine
CID 91102166
azacyclotriacontane
CID 57238597
azepane;piperidine
CID 67415778
1,8,15,22-tetrazacyclooctacosane
CID 15722579
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?
The IUPAC name of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane (CID 123632627) is 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane.
What is the SMILES notation for 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?
The canonical SMILES for 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane is CC[N+]1(C)CCCCCCCNCCCCC1.
What is the InChIKey of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?
The InChIKey is XXLUUVIUTSFEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N2/c1-3-17(2)14-10-6-4-5-8-12-16-13-9-7-11-15-17/h16H,3-15H2,1-2H3/q+1.
What are the key properties of 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane?
1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane has a molecular weight of 241.44 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane is sourced from PubChem (CID 123632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).