tetrapropoxyazanium bromide

C12H28BrNO4 — CID 87770542

IUPACtetrapropoxyazanium bromide
SMILESCCCO[N+](OCCC)(OCCC)OCCC.[Br-]
InChIInChI=1S/C12H28NO4.BrH/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyMBFFOWQXCKRLTC-UHFFFAOYSA-M
MW330.26 g/mol
LogP0.17
Rot. Bonds12

About tetrapropoxyazanium bromide

tetrapropoxyazanium bromide (PubChem CID 87770542) has the molecular formula C12H28BrNO4 and a molecular weight of 330.26 g/mol. Its IUPAC name is tetrapropoxyazanium bromide.

Molecular Properties

Compound Nametetrapropoxyazanium bromide
PubChem CID87770542
Molecular FormulaC12H28BrNO4
Molecular Weight330.26 g/mol
Exact Mass329.12
IUPAC Nametetrapropoxyazanium bromide
SMILESCCCO[N+](OCCC)(OCCC)OCCC.[Br-]
InChIInChI=1S/C12H28NO4.BrH/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
InChIKeyMBFFOWQXCKRLTC-UHFFFAOYSA-M
XLogP0.17
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-propoxymethanamine oxide
CID 54365110
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
2,2,4,4,6,6,8,8-octapropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 140868253
butane;sulfane
CID 162203569
ethane;propane;1-propoxypropane
CID 143757970
propoxygermane
CID 154156354
dipropoxy-sulfanyl-sulfanylidene-λ5-phosphane;sulfane
CID 173229202
butane;tetramethylazanium;bromide
CID 23496254
propoxy(dipropyl)phosphane
CID 584525
dimethyl-(3-oxidooxoniopropyl)-propoxyazanium
CID 137149530
1-(1,2,2-tripropoxyethenoxy)propane
CID 12561622
1-ethoxypropane;methane
CID 158784820

Frequently Asked Questions

What is the IUPAC name of tetrapropoxyazanium bromide?
The IUPAC name of tetrapropoxyazanium bromide (CID 87770542) is tetrapropoxyazanium bromide.
What is the SMILES notation for tetrapropoxyazanium bromide?
The canonical SMILES for tetrapropoxyazanium bromide is CCCO[N+](OCCC)(OCCC)OCCC.[Br-].
What is the InChIKey of tetrapropoxyazanium bromide?
The InChIKey is MBFFOWQXCKRLTC-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28NO4.BrH/c1-5-9-14-13(15-10-6-2,16-11-7-3)17-12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetrapropoxyazanium bromide?
tetrapropoxyazanium bromide has a molecular weight of 330.26 g/mol, XLogP of 0.17, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapropoxyazanium bromide is sourced from PubChem (CID 87770542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).