6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride

C19H44Cl2N2 — CID 71315261

IUPAC6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride
SMILESCCCCCCCCCCNCCCCCC[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C19H43N2.2ClH/c1-5-6-7-8-9-10-11-14-17-20-18-15-12-13-16-19-21(2,3)4;;/h20H,5-19H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyAYOZHXIWVVHNRA-UHFFFAOYSA-M
MW371.48 g/mol
LogP2.41
Rot. Bonds16

About 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride

6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride (PubChem CID 71315261) has the molecular formula C19H44Cl2N2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Name6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride
PubChem CID71315261
Molecular FormulaC19H44Cl2N2
Molecular Weight371.48 g/mol
Exact Mass370.29
IUPAC Name6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride
SMILESCCCCCCCCCCNCCCCCC[N+](C)(C)C.Cl.[Cl-]
InChIInChI=1S/C19H43N2.2ClH/c1-5-6-7-8-9-10-11-14-17-20-18-15-12-13-16-19-21(2,3)4;;/h20H,5-19H2,1-4H3;2*1H/q+1;;/p-1
InChIKeyAYOZHXIWVVHNRA-UHFFFAOYSA-M
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

3-(dodecylamino)propyl-trimethylazanium chloride
CID 166791709
dodecyl(trimethyl)azanium;chloride;hydrochloride
CID 141284666
hexadecyl(trimethyl)azanium;chloride;hydrochloride
CID 141040318
dodecyl(trimethyl)azanium;phosphane;chloride;hydrochloride
CID 174651237
pentakis(decyl(trimethyl)azanium);pentachloride
CID 158242115
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
dopentacontyl(trimethyl)azanium chloride
CID 118223354
trimethyl(octyl)azanium chloride
CID 24949
bis(trimethyl(octadecyl)azanium) dichloride
CID 139683023

Frequently Asked Questions

What is the IUPAC name of 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride?
The IUPAC name of 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride (CID 71315261) is 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride.
What is the SMILES notation for 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride?
The canonical SMILES for 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride is CCCCCCCCCCNCCCCCC[N+](C)(C)C.Cl.[Cl-].
What is the InChIKey of 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride?
The InChIKey is AYOZHXIWVVHNRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H43N2.2ClH/c1-5-6-7-8-9-10-11-14-17-20-18-15-12-13-16-19-21(2,3)4;;/h20H,5-19H2,1-4H3;2*1H/q+1;;/p-1.
What are the key properties of 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride?
6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride has a molecular weight of 371.48 g/mol, XLogP of 2.41, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(decylamino)hexyl-trimethylazanium;chloride;hydrochloride is sourced from PubChem (CID 71315261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).