dimethyl-bis(prop-2-enyl)azanium bromide

C8H16BrN — CID 13119730

IUPACdimethyl-bis(prop-2-enyl)azanium bromide
SMILESC=CC[N+](C)(C)CC=C.[Br-]
InChIInChI=1S/C8H16N.BrH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
InChIKeyYRHAJIIKYFCUTG-UHFFFAOYSA-M
MW206.13 g/mol
LogP-1.56
Rot. Bonds4

About dimethyl-bis(prop-2-enyl)azanium bromide

dimethyl-bis(prop-2-enyl)azanium bromide (PubChem CID 13119730) has the molecular formula C8H16BrN and a molecular weight of 206.13 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium bromide.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium bromide
PubChem CID13119730
Molecular FormulaC8H16BrN
Molecular Weight206.13 g/mol
Exact Mass205.05
IUPAC Namedimethyl-bis(prop-2-enyl)azanium bromide
SMILESC=CC[N+](C)(C)CC=C.[Br-]
InChIInChI=1S/C8H16N.BrH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
InChIKeyYRHAJIIKYFCUTG-UHFFFAOYSA-M
XLogP-1.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.13
LogP ≤ 5-1.56
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 dimethyl-bis(prop-2-enyl)azanium bromide?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium bromide (CID 13119730) is dimethyl-bis(prop-2-enyl)azanium bromide.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium bromide?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium bromide is C=CC[N+](C)(C)CC=C.[Br-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium bromide?
The InChIKey is YRHAJIIKYFCUTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.BrH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium bromide?
dimethyl-bis(prop-2-enyl)azanium bromide has a molecular weight of 206.13 g/mol, XLogP of -1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium bromide is sourced from PubChem (CID 13119730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).