dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride

C32H72Cl2N2 — CID 156699611

IUPACdodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-]
InChIInChI=1S/C17H38N.C15H34N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-17H2,1-4H3;5-15H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyFZHBMNBGAAXUCN-UHFFFAOYSA-L
MW555.85 g/mol
LogP4.02
Rot. Bonds24

About dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride

dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride (PubChem CID 156699611) has the molecular formula C32H72Cl2N2 and a molecular weight of 555.85 g/mol. Its IUPAC name is dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride.

Molecular Properties

Compound Namedodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
PubChem CID156699611
Molecular FormulaC32H72Cl2N2
Molecular Weight555.85 g/mol
Exact Mass554.51
IUPAC Namedodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-]
InChIInChI=1S/C17H38N.C15H34N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-17H2,1-4H3;5-15H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyFZHBMNBGAAXUCN-UHFFFAOYSA-L
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.85
LogP ≤ 54.02
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

docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
dopentacontyl(trimethyl)azanium chloride
CID 118223354
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
trimethyl(octyl)azanium chloride
CID 24949
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023
azane;trimethyl(tridecyl)azanium;chloride
CID 174706347
dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318
bis(trimethyl(octadecyl)azanium);bromide;chloride
CID 155665439
hexadecyl(trimethyl)azanium;chloride;hydrate
CID 87398885

Frequently Asked Questions

What is the IUPAC name of dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
The IUPAC name of dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride (CID 156699611) is dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride.
What is the SMILES notation for dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
The canonical SMILES for dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride is CCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)C.[Cl-].[Cl-].
What is the InChIKey of dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
The InChIKey is FZHBMNBGAAXUCN-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H38N.C15H34N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;/h5-17H2,1-4H3;5-15H2,1-4H3;2*1H/q2*+1;;/p-2.
What are the key properties of dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride has a molecular weight of 555.85 g/mol, XLogP of 4.02, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride is sourced from PubChem (CID 156699611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).