didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride

C106H232Cl5N5 — CID 157131807

IUPACdidodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride
SMILESCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.CCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C30H64N.C26H56N.C18H40N.C17H38N.C15H34N.5ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;;;/h5-30H2,1-4H3;5-26H2,1-4H3;5-18H2,1-4H3;5-17H2,1-4H3;5-15H2,1-4H3;5*1H/q5*+1;;;;;/p-5
InChIKeyLVEODHVHHPKYTF-UHFFFAOYSA-I
MW1754.32 g/mol
LogP20.18
Rot. Bonds86

About didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride

didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride (PubChem CID 157131807) has the molecular formula C106H232Cl5N5 and a molecular weight of 1754.32 g/mol. Its IUPAC name is didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride.

Molecular Properties

Compound Namedidodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride
PubChem CID157131807
Molecular FormulaC106H232Cl5N5
Molecular Weight1754.32 g/mol
Exact Mass1750.68
IUPAC Namedidodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride
SMILESCCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.CCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C30H64N.C26H56N.C18H40N.C17H38N.C15H34N.5ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;;;/h5-30H2,1-4H3;5-26H2,1-4H3;5-18H2,1-4H3;5-17H2,1-4H3;5-15H2,1-4H3;5*1H/q5*+1;;;;;/p-5
InChIKeyLVEODHVHHPKYTF-UHFFFAOYSA-I
XLogP20.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds86
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001754.32
LogP ≤ 520.18
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

dimethyl(dioctadecyl)azanium;trimethyl(octadecyl)azanium;dichloride
CID 140520120
dimethyl-octadecyl-[3-(trimethylazaniumyl)propyl]azanium chloride
CID 167995923
heptyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium;methane;dichloride
CID 169424335
dimethyl(dioctyl)azanium;trimethyl(octadecyl)azanium;dibromide
CID 158508954
hexyl-dimethyl-[3-(trimethylazaniumyl)propyl]azanium dibromide
CID 71341601
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
dopentacontyl(trimethyl)azanium chloride
CID 118223354
decyl-hexyl-dimethylazanium chloride
CID 19369138

Frequently Asked Questions

What is the IUPAC name of didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride?
The IUPAC name of didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride (CID 157131807) is didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride.
What is the SMILES notation for didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride?
The canonical SMILES for didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride is CCCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.CCCCCCCCCCCC[N+](C)(C)C.CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride?
The InChIKey is LVEODHVHHPKYTF-UHFFFAOYSA-I. The full InChI is InChI=1S/C30H64N.C26H56N.C18H40N.C17H38N.C15H34N.5ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31(3,4)30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;;;;;/h5-30H2,1-4H3;5-26H2,1-4H3;5-18H2,1-4H3;5-17H2,1-4H3;5-15H2,1-4H3;5*1H/q5*+1;;;;;/p-5.
What are the key properties of didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride?
didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride has a molecular weight of 1754.32 g/mol, XLogP of 20.18, 86 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for didodecyl(dimethyl)azanium;dimethyl-di(tetradecyl)azanium;dodecyl(trimethyl)azanium;trimethyl(pentadecyl)azanium;trimethyl(tetradecyl)azanium;pentachloride is sourced from PubChem (CID 157131807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).