ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride

C22H52Cl2N2 — CID 157278178

IUPACethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.CC[N+](C)(C)C.[Cl-].[Cl-]
InChIInChI=1S/C17H38N.C5H14N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4;;/h5-17H2,1-4H3;5H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyIDCAIPBJBFNUDM-UHFFFAOYSA-L
MW415.58 g/mol
LogP0.11
Rot. Bonds14

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

ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride (PubChem CID 157278178) has the molecular formula C22H52Cl2N2 and a molecular weight of 415.58 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
PubChem CID157278178
Molecular FormulaC22H52Cl2N2
Molecular Weight415.58 g/mol
Exact Mass414.35
IUPAC Nameethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
SMILESCCCCCCCCCCCCCC[N+](C)(C)C.CC[N+](C)(C)C.[Cl-].[Cl-]
InChIInChI=1S/C17H38N.C5H14N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4;;/h5-17H2,1-4H3;5H2,1-4H3;2*1H/q2*+1;;/p-2
InChIKeyIDCAIPBJBFNUDM-UHFFFAOYSA-L
XLogP0.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 50.11
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

dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
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
hexadecyl(trimethyl)azanium;chloride;hydrate
CID 87398885

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
The IUPAC name of ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride (CID 157278178) is ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride.
What is the SMILES notation for ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
The canonical SMILES for ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride is CCCCCCCCCCCCCC[N+](C)(C)C.CC[N+](C)(C)C.[Cl-].[Cl-].
What is the InChIKey of ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
The InChIKey is IDCAIPBJBFNUDM-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H38N.C5H14N.2ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6(2,3)4;;/h5-17H2,1-4H3;5H2,1-4H3;2*1H/q2*+1;;/p-2.
What are the key properties of ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride?
ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride has a molecular weight of 415.58 g/mol, XLogP of 0.11, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride is sourced from PubChem (CID 157278178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).