tetrakis(prop-2-enyl)azanium bromide

C12H20BrN — CID 19028464

IUPACtetrakis(prop-2-enyl)azanium bromide
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[Br-]
InChIInChI=1S/C12H20N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;/p-1
InChIKeyLSBPSZPWPZOSPJ-UHFFFAOYSA-M
MW258.20 g/mol
LogP-0.45
Rot. Bonds8

About tetrakis(prop-2-enyl)azanium bromide

tetrakis(prop-2-enyl)azanium bromide (PubChem CID 19028464) has the molecular formula C12H20BrN and a molecular weight of 258.20 g/mol. Its IUPAC name is tetrakis(prop-2-enyl)azanium bromide.

Molecular Properties

Compound Nametetrakis(prop-2-enyl)azanium bromide
PubChem CID19028464
Molecular FormulaC12H20BrN
Molecular Weight258.20 g/mol
Exact Mass257.08
IUPAC Nametetrakis(prop-2-enyl)azanium bromide
SMILESC=CC[N+](CC=C)(CC=C)CC=C.[Br-]
InChIInChI=1S/C12H20N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;/p-1
InChIKeyLSBPSZPWPZOSPJ-UHFFFAOYSA-M
XLogP-0.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 tetrakis(prop-2-enyl)azanium bromide?
The IUPAC name of tetrakis(prop-2-enyl)azanium bromide (CID 19028464) is tetrakis(prop-2-enyl)azanium bromide.
What is the SMILES notation for tetrakis(prop-2-enyl)azanium bromide?
The canonical SMILES for tetrakis(prop-2-enyl)azanium bromide is C=CC[N+](CC=C)(CC=C)CC=C.[Br-].
What is the InChIKey of tetrakis(prop-2-enyl)azanium bromide?
The InChIKey is LSBPSZPWPZOSPJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-8H,1-4,9-12H2;1H/q+1;/p-1.
What are the key properties of tetrakis(prop-2-enyl)azanium bromide?
tetrakis(prop-2-enyl)azanium bromide has a molecular weight of 258.20 g/mol, XLogP of -0.45, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(prop-2-enyl)azanium bromide is sourced from PubChem (CID 19028464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).