dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide

C32H72Br2N2 — CID 173166740

IUPACdodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide
SMILESCCCCCCCCCCCCC(C)[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C17H38N.C15H34N.2BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,4)5;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h17H,6-16H2,1-5H3;5-15H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyQGKMZDIMPATRJU-UHFFFAOYSA-L
MW644.75 g/mol
LogP4.01
Rot. Bonds23

About dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide

dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide (PubChem CID 173166740) has the molecular formula C32H72Br2N2 and a molecular weight of 644.75 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide
PubChem CID173166740
Molecular FormulaC32H72Br2N2
Molecular Weight644.75 g/mol
Exact Mass642.41
IUPAC Namedodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide
SMILESCCCCCCCCCCCCC(C)[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]
InChIInChI=1S/C17H38N.C15H34N.2BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,4)5;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h17H,6-16H2,1-5H3;5-15H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyQGKMZDIMPATRJU-UHFFFAOYSA-L
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds23
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

docosan-2-yl(trimethyl)azanium
CID 141375855
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
decan-2-yl(trimethyl)azanium chloride
CID 174768597
trimethyl(15-methyltricosyl)azanium
CID 23293385
trimethyl(pentacontyl)azanium bromide
CID 118223247
dodecyl-dihydroxy-tetradecan-2-ylazanium
CID 54272236
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
azane;trimethyl(octyl)azanium;bromide
CID 175301747
phosphanium;dodecyl(trimethyl)azanium;dibromide
CID 158330672
dodecyl(trimethyl)azanium;bromide;dihydrobromide
CID 173358301
trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294

Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide?
The IUPAC name of dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide (CID 173166740) is dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide.
What is the SMILES notation for dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide?
The canonical SMILES for dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide is CCCCCCCCCCCCC(C)[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.[Br-].[Br-].
What is the InChIKey of dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide?
The InChIKey is QGKMZDIMPATRJU-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H38N.C15H34N.2BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17(2)18(3,4)5;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h17H,6-16H2,1-5H3;5-15H2,1-4H3;2*1H/q2*+1;;/p-2.
What are the key properties of dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide?
dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide has a molecular weight of 644.75 g/mol, XLogP of 4.01, 23 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide is sourced from PubChem (CID 173166740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).