bis(prop-2-enyl)-di(undecyl)azanium

C28H56N+ — CID 101038500

IUPACbis(prop-2-enyl)-di(undecyl)azanium
SMILESC=CC[N+](CC=C)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C28H56N/c1-5-9-11-13-15-17-19-21-23-27-29(25-7-3,26-8-4)28-24-22-20-18-16-14-12-10-6-2/h7-8H,3-6,9-28H2,1-2H3/q+1
InChIKeyKBAYSTONJOFILU-UHFFFAOYSA-N
MW406.76 g/mol
LogP9.24
Rot. Bonds24

About bis(prop-2-enyl)-di(undecyl)azanium

bis(prop-2-enyl)-di(undecyl)azanium (PubChem CID 101038500) has the molecular formula C28H56N+ and a molecular weight of 406.76 g/mol. Its IUPAC name is bis(prop-2-enyl)-di(undecyl)azanium.

Molecular Properties

Compound Namebis(prop-2-enyl)-di(undecyl)azanium
PubChem CID101038500
Molecular FormulaC28H56N+
Molecular Weight406.76 g/mol
Exact Mass406.44
IUPAC Namebis(prop-2-enyl)-di(undecyl)azanium
SMILESC=CC[N+](CC=C)(CCCCCCCCCCC)CCCCCCCCCCC
InChIInChI=1S/C28H56N/c1-5-9-11-13-15-17-19-21-23-27-29(25-7-3,26-8-4)28-24-22-20-18-16-14-12-10-6-2/h7-8H,3-6,9-28H2,1-2H3/q+1
InChIKeyKBAYSTONJOFILU-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

dioctyl-bis(prop-2-enyl)azanium bromide
CID 19847234
di(nonadecyl)-bis(prop-2-enyl)azanium chloride
CID 168918662
dibutyl-octadecyl-prop-2-enylazanium
CID 87194444
pentyl-tris(prop-2-enyl)azanium
CID 87393488
dibutyl-dodecyl-prop-2-enylazanium bromide
CID 22348531
but-3-enyl-didodecyl-prop-2-enylazanium
CID 175155543
bis(2-hydroxyethyl)-prop-2-enyl-tetradecylazanium chloride
CID 21149748
bis(2-hydroxyethyl)-octadecyl-prop-2-enylazanium chloride
CID 3086381
tributyl(prop-2-enyl)azanium chloride
CID 3024222
carboxymethyl-bis(prop-2-enyl)-undecylazanium
CID 101084862
hexyl-dimethyl-prop-2-enylazanium
CID 123825197
hexadecyl-methyl-bis(prop-2-enyl)azanium
CID 639901

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl)-di(undecyl)azanium?
The IUPAC name of bis(prop-2-enyl)-di(undecyl)azanium (CID 101038500) is bis(prop-2-enyl)-di(undecyl)azanium.
What is the SMILES notation for bis(prop-2-enyl)-di(undecyl)azanium?
The canonical SMILES for bis(prop-2-enyl)-di(undecyl)azanium is C=CC[N+](CC=C)(CCCCCCCCCCC)CCCCCCCCCCC.
What is the InChIKey of bis(prop-2-enyl)-di(undecyl)azanium?
The InChIKey is KBAYSTONJOFILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N/c1-5-9-11-13-15-17-19-21-23-27-29(25-7-3,26-8-4)28-24-22-20-18-16-14-12-10-6-2/h7-8H,3-6,9-28H2,1-2H3/q+1.
What are the key properties of bis(prop-2-enyl)-di(undecyl)azanium?
bis(prop-2-enyl)-di(undecyl)azanium has a molecular weight of 406.76 g/mol, XLogP of 9.24, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl)-di(undecyl)azanium is sourced from PubChem (CID 101038500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).