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

C16H30NO3+ — CID 87091987

IUPACmethyl-tris(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(CCOCC=C)CCOCC=C
InChIInChI=1S/C16H30NO3/c1-5-11-18-14-8-17(4,9-15-19-12-6-2)10-16-20-13-7-3/h5-7H,1-3,8-16H2,4H3/q+1
InChIKeyIXKUXIQWXQUUKC-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.04
Rot. Bonds15

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

methyl-tris(2-prop-2-enoxyethyl)azanium (PubChem CID 87091987) has the molecular formula C16H30NO3+ and a molecular weight of 284.42 g/mol. Its IUPAC name is methyl-tris(2-prop-2-enoxyethyl)azanium.

Molecular Properties

Compound Namemethyl-tris(2-prop-2-enoxyethyl)azanium
PubChem CID87091987
Molecular FormulaC16H30NO3+
Molecular Weight284.42 g/mol
Exact Mass284.22
IUPAC Namemethyl-tris(2-prop-2-enoxyethyl)azanium
SMILESC=CCOCC[N+](C)(CCOCC=C)CCOCC=C
InChIInChI=1S/C16H30NO3/c1-5-11-18-14-8-17(4,9-15-19-12-6-2)10-16-20-13-7-3/h5-7H,1-3,8-16H2,4H3/q+1
InChIKeyIXKUXIQWXQUUKC-UHFFFAOYSA-N
XLogP2.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.04
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 methyl-tris(2-prop-2-enoxyethyl)azanium?
The IUPAC name of methyl-tris(2-prop-2-enoxyethyl)azanium (CID 87091987) is methyl-tris(2-prop-2-enoxyethyl)azanium.
What is the SMILES notation for methyl-tris(2-prop-2-enoxyethyl)azanium?
The canonical SMILES for methyl-tris(2-prop-2-enoxyethyl)azanium is C=CCOCC[N+](C)(CCOCC=C)CCOCC=C.
What is the InChIKey of methyl-tris(2-prop-2-enoxyethyl)azanium?
The InChIKey is IXKUXIQWXQUUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30NO3/c1-5-11-18-14-8-17(4,9-15-19-12-6-2)10-16-20-13-7-3/h5-7H,1-3,8-16H2,4H3/q+1.
What are the key properties of methyl-tris(2-prop-2-enoxyethyl)azanium?
methyl-tris(2-prop-2-enoxyethyl)azanium has a molecular weight of 284.42 g/mol, XLogP of 2.04, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(2-prop-2-enoxyethyl)azanium is sourced from PubChem (CID 87091987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).