bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium

C17H26NO+ — CID 7442944

IUPACbis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium
SMILESC=CC[NH+](CC=C)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO/c1-6-8-18(9-7-2)10-11-19-17-15(4)12-14(3)13-16(17)5/h6-7,12-13H,1-2,8-11H2,3-5H3/p+1
InChIKeyCNQSYLDRMRPVMA-UHFFFAOYSA-O
MW260.40 g/mol
LogP2.25
Rot. Bonds8

About bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium

bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium (PubChem CID 7442944) has the molecular formula C17H26NO+ and a molecular weight of 260.40 g/mol. Its IUPAC name is bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium.

Molecular Properties

Compound Namebis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium
PubChem CID7442944
Molecular FormulaC17H26NO+
Molecular Weight260.40 g/mol
Exact Mass260.20
IUPAC Namebis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium
SMILESC=CC[NH+](CC=C)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO/c1-6-8-18(9-7-2)10-11-19-17-15(4)12-14(3)13-16(17)5/h6-7,12-13H,1-2,8-11H2,3-5H3/p+1
InChIKeyCNQSYLDRMRPVMA-UHFFFAOYSA-O
XLogP2.25
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium?
The IUPAC name of bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium (CID 7442944) is bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium.
What is the SMILES notation for bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium?
The canonical SMILES for bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium is C=CC[NH+](CC=C)CCOc1c(C)cc(C)cc1C.
What is the InChIKey of bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium?
The InChIKey is CNQSYLDRMRPVMA-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25NO/c1-6-8-18(9-7-2)10-11-19-17-15(4)12-14(3)13-16(17)5/h6-7,12-13H,1-2,8-11H2,3-5H3/p+1.
What are the key properties of bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium?
bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium has a molecular weight of 260.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)-[2-(2,4,6-trimethylphenoxy)ethyl]azanium is sourced from PubChem (CID 7442944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).