trimethyl(pentadecoxy)azanium chloride

C18H40ClNO — CID 71318930

IUPACtrimethyl(pentadecoxy)azanium chloride
SMILESCCCCCCCCCCCCCCCO[N+](C)(C)C.[Cl-]
InChIInChI=1S/C18H40NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyGHCSZOFBUUIGNG-UHFFFAOYSA-M
MW321.98 g/mol
LogP2.72
Rot. Bonds15

About trimethyl(pentadecoxy)azanium chloride

trimethyl(pentadecoxy)azanium chloride (PubChem CID 71318930) has the molecular formula C18H40ClNO and a molecular weight of 321.98 g/mol. Its IUPAC name is trimethyl(pentadecoxy)azanium chloride.

Molecular Properties

Compound Nametrimethyl(pentadecoxy)azanium chloride
PubChem CID71318930
Molecular FormulaC18H40ClNO
Molecular Weight321.98 g/mol
Exact Mass321.28
IUPAC Nametrimethyl(pentadecoxy)azanium chloride
SMILESCCCCCCCCCCCCCCCO[N+](C)(C)C.[Cl-]
InChIInChI=1S/C18H40NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1
InChIKeyGHCSZOFBUUIGNG-UHFFFAOYSA-M
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.98
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hexoxyhexane;yttrium
CID 87066735
dodecyl-[4-[dodecyl(dimethyl)azaniumyl]butoxy]-dimethylazanium
CID 175685839
hexadecyl-[4-[hexadecyl(dimethyl)azaniumyl]butoxy]-dimethylazanium
CID 175685446
4-[dimethyl(nonyl)azaniumyl]butoxy-dimethyl-nonylazanium
CID 175684839
octane;tetramethylazanium
CID 174525343
undecane chloride
CID 19736895
decane;ruthenium
CID 160818595
octacosane;sulfane
CID 157204687
4-[dimethyl(octyl)azaniumyl]butoxy-dimethyl-octylazanium dibromide
CID 175685150
1-pentylperoxypentane;sulfane
CID 174916685
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of trimethyl(pentadecoxy)azanium chloride?
The IUPAC name of trimethyl(pentadecoxy)azanium chloride (CID 71318930) is trimethyl(pentadecoxy)azanium chloride.
What is the SMILES notation for trimethyl(pentadecoxy)azanium chloride?
The canonical SMILES for trimethyl(pentadecoxy)azanium chloride is CCCCCCCCCCCCCCCO[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl(pentadecoxy)azanium chloride?
The InChIKey is GHCSZOFBUUIGNG-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H40NO.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(2,3)4;/h5-18H2,1-4H3;1H/q+1;/p-1.
What are the key properties of trimethyl(pentadecoxy)azanium chloride?
trimethyl(pentadecoxy)azanium chloride has a molecular weight of 321.98 g/mol, XLogP of 2.72, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(pentadecoxy)azanium chloride is sourced from PubChem (CID 71318930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).