ethyl-tris(2-prop-2-enoxyethyl)azanium

C17H32NO3+ — CID 59518623

IUPACethyl-tris(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](CC)(CCOCC=C)CCOCC=C
InChIInChI=1S/C17H32NO3/c1-5-12-19-15-9-18(8-4,10-16-20-13-6-2)11-17-21-14-7-3/h5-7H,1-3,8-17H2,4H3/q+1
InChIKeyULAPHCYXFPEFIJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.43
Rot. Bonds16

About ethyl-tris(2-prop-2-enoxyethyl)azanium

ethyl-tris(2-prop-2-enoxyethyl)azanium (PubChem CID 59518623) has the molecular formula C17H32NO3+ and a molecular weight of 298.45 g/mol. Its IUPAC name is ethyl-tris(2-prop-2-enoxyethyl)azanium.

Molecular Properties

Compound Nameethyl-tris(2-prop-2-enoxyethyl)azanium
PubChem CID59518623
Molecular FormulaC17H32NO3+
Molecular Weight298.45 g/mol
Exact Mass298.24
IUPAC Nameethyl-tris(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](CC)(CCOCC=C)CCOCC=C
InChIInChI=1S/C17H32NO3/c1-5-12-19-15-9-18(8-4,10-16-20-13-6-2)11-17-21-14-7-3/h5-7H,1-3,8-17H2,4H3/q+1
InChIKeyULAPHCYXFPEFIJ-UHFFFAOYSA-N
XLogP2.43
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl-tris(2-prop-2-enoxyethyl)azanium?
The IUPAC name of ethyl-tris(2-prop-2-enoxyethyl)azanium (CID 59518623) is ethyl-tris(2-prop-2-enoxyethyl)azanium.
What is the SMILES notation for ethyl-tris(2-prop-2-enoxyethyl)azanium?
The canonical SMILES for ethyl-tris(2-prop-2-enoxyethyl)azanium is C=CCOCC[N+](CC)(CCOCC=C)CCOCC=C.
What is the InChIKey of ethyl-tris(2-prop-2-enoxyethyl)azanium?
The InChIKey is ULAPHCYXFPEFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32NO3/c1-5-12-19-15-9-18(8-4,10-16-20-13-6-2)11-17-21-14-7-3/h5-7H,1-3,8-17H2,4H3/q+1.
What are the key properties of ethyl-tris(2-prop-2-enoxyethyl)azanium?
ethyl-tris(2-prop-2-enoxyethyl)azanium has a molecular weight of 298.45 g/mol, XLogP of 2.43, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-tris(2-prop-2-enoxyethyl)azanium is sourced from PubChem (CID 59518623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).