triethylazanium;1,2,5-trimethylpyrrole

C13H27N2+ — CID 90891861

IUPACtriethylazanium;1,2,5-trimethylpyrrole
SMILESCC[NH+](CC)CC.Cc1ccc(C)n1C
InChIInChI=1S/C7H11N.C6H15N/c1-6-4-5-7(2)8(6)3;1-4-7(5-2)6-3/h4-5H,1-3H3;4-6H2,1-3H3/p+1
InChIKeyXMKWBIYMGHVBDV-UHFFFAOYSA-O
MW211.37 g/mol
LogP1.57
Rot. Bonds3

About triethylazanium;1,2,5-trimethylpyrrole

triethylazanium;1,2,5-trimethylpyrrole (PubChem CID 90891861) has the molecular formula C13H27N2+ and a molecular weight of 211.37 g/mol. Its IUPAC name is triethylazanium;1,2,5-trimethylpyrrole.

Molecular Properties

Compound Nametriethylazanium;1,2,5-trimethylpyrrole
PubChem CID90891861
Molecular FormulaC13H27N2+
Molecular Weight211.37 g/mol
Exact Mass211.22
IUPAC Nametriethylazanium;1,2,5-trimethylpyrrole
SMILESCC[NH+](CC)CC.Cc1ccc(C)n1C
InChIInChI=1S/C7H11N.C6H15N/c1-6-4-5-7(2)8(6)3;1-4-7(5-2)6-3/h4-5H,1-3H3;4-6H2,1-3H3/p+1
InChIKeyXMKWBIYMGHVBDV-UHFFFAOYSA-O
XLogP1.57
TPSA9.37 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of triethylazanium;1,2,5-trimethylpyrrole?
The IUPAC name of triethylazanium;1,2,5-trimethylpyrrole (CID 90891861) is triethylazanium;1,2,5-trimethylpyrrole.
What is the SMILES notation for triethylazanium;1,2,5-trimethylpyrrole?
The canonical SMILES for triethylazanium;1,2,5-trimethylpyrrole is CC[NH+](CC)CC.Cc1ccc(C)n1C.
What is the InChIKey of triethylazanium;1,2,5-trimethylpyrrole?
The InChIKey is XMKWBIYMGHVBDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N.C6H15N/c1-6-4-5-7(2)8(6)3;1-4-7(5-2)6-3/h4-5H,1-3H3;4-6H2,1-3H3/p+1.
What are the key properties of triethylazanium;1,2,5-trimethylpyrrole?
triethylazanium;1,2,5-trimethylpyrrole has a molecular weight of 211.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethylazanium;1,2,5-trimethylpyrrole is sourced from PubChem (CID 90891861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).