trimethyl(prop-2-enoxymethyl)azanium iodide

C7H16INO — CID 3026348

IUPACtrimethyl(prop-2-enoxymethyl)azanium iodide
SMILESC=CCOC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H16NO.HI/c1-5-6-9-7-8(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1
InChIKeyLDAZYJREEKXFHV-UHFFFAOYSA-M
MW257.11 g/mol
LogP-2.14
Rot. Bonds4

About trimethyl(prop-2-enoxymethyl)azanium iodide

trimethyl(prop-2-enoxymethyl)azanium iodide (PubChem CID 3026348) has the molecular formula C7H16INO and a molecular weight of 257.11 g/mol. Its IUPAC name is trimethyl(prop-2-enoxymethyl)azanium iodide.

Molecular Properties

Compound Nametrimethyl(prop-2-enoxymethyl)azanium iodide
PubChem CID3026348
Molecular FormulaC7H16INO
Molecular Weight257.11 g/mol
Exact Mass257.03
IUPAC Nametrimethyl(prop-2-enoxymethyl)azanium iodide
SMILESC=CCOC[N+](C)(C)C.[I-]
InChIInChI=1S/C7H16NO.HI/c1-5-6-9-7-8(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1
InChIKeyLDAZYJREEKXFHV-UHFFFAOYSA-M
XLogP-2.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(Allyloxymethyl)triethylammonium iodide
CID 3026346
Trimethyl(prop-2-enoxymethyl)azanium
CID 3026349
N,N-dimethyl-1-prop-2-enoxyethanamine
CID 22916505
N,N-dimethyl-1-prop-2-enoxymethanamine
CID 87233768
N-methyl-N-(prop-2-enoxymethyl)ethanamine;prop-1-ene
CID 155698338
N,N-dimethylmethanamine;3-prop-2-enoxyprop-1-ene;hydrochloride
CID 174866772
Triethyl(prop-2-enoxymethyl)azanium
CID 3026347
N-methyl-1-prop-2-enoxy-N-(prop-2-enoxymethyl)methanamine
CID 85656751
Trimethyl(1-prop-2-enoxyethyl)azanium
CID 88324979
1-[(Z)-but-2-enoxy]-N,N-dimethylmethanamine
CID 143227137
N-methyl-N-(prop-2-enoxymethyl)ethanamine
CID 155698339
Methyl(prop-2-enoxymethyl)azanide
CID 160695638

Frequently Asked Questions

What is the IUPAC name of trimethyl(prop-2-enoxymethyl)azanium iodide?
The IUPAC name of trimethyl(prop-2-enoxymethyl)azanium iodide (CID 3026348) is trimethyl(prop-2-enoxymethyl)azanium iodide.
What is the SMILES notation for trimethyl(prop-2-enoxymethyl)azanium iodide?
The canonical SMILES for trimethyl(prop-2-enoxymethyl)azanium iodide is C=CCOC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl(prop-2-enoxymethyl)azanium iodide?
The InChIKey is LDAZYJREEKXFHV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16NO.HI/c1-5-6-9-7-8(2,3)4;/h5H,1,6-7H2,2-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(prop-2-enoxymethyl)azanium iodide?
trimethyl(prop-2-enoxymethyl)azanium iodide has a molecular weight of 257.11 g/mol, XLogP of -2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(prop-2-enoxymethyl)azanium iodide is sourced from PubChem (CID 3026348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).