triethyl(hexadecan-2-yl)azanium

C22H48N+ — CID 87135879

IUPACtriethyl(hexadecan-2-yl)azanium
SMILESCCCCCCCCCCCCCCC(C)[N+](CC)(CC)CC
InChIInChI=1S/C22H48N/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22(5)23(7-2,8-3)9-4/h22H,6-21H2,1-5H3/q+1
InChIKeyBVTWVLUHWVKEPZ-UHFFFAOYSA-N
MW326.63 g/mol
LogP7.34
Rot. Bonds17

About triethyl(hexadecan-2-yl)azanium

triethyl(hexadecan-2-yl)azanium (PubChem CID 87135879) has the molecular formula C22H48N+ and a molecular weight of 326.63 g/mol. Its IUPAC name is triethyl(hexadecan-2-yl)azanium.

Molecular Properties

Compound Nametriethyl(hexadecan-2-yl)azanium
PubChem CID87135879
Molecular FormulaC22H48N+
Molecular Weight326.63 g/mol
Exact Mass326.38
IUPAC Nametriethyl(hexadecan-2-yl)azanium
SMILESCCCCCCCCCCCCCCC(C)[N+](CC)(CC)CC
InChIInChI=1S/C22H48N/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22(5)23(7-2,8-3)9-4/h22H,6-21H2,1-5H3/q+1
InChIKeyBVTWVLUHWVKEPZ-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 57.34
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

triethyl(octan-2-yl)azanium
CID 57165770
triethyl(hexan-2-yl)azanium
CID 88691011
dibutyl-ethyl-hexan-2-ylazanium
CID 175384713
docosan-2-yl(trimethyl)azanium
CID 141375855
6-bromohexan-2-yl(triethyl)azanium bromide
CID 175213397
decan-2-yl(trimethyl)azanium chloride
CID 174768597
methyl-tri(octan-2-yl)azanium chloride
CID 12783666
icosan-2-yl(trimethyl)azanium chloride
CID 139396717
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
2-(octan-2-yldisulfanyl)octane
CID 5120252
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629

Frequently Asked Questions

What is the IUPAC name of triethyl(hexadecan-2-yl)azanium?
The IUPAC name of triethyl(hexadecan-2-yl)azanium (CID 87135879) is triethyl(hexadecan-2-yl)azanium.
What is the SMILES notation for triethyl(hexadecan-2-yl)azanium?
The canonical SMILES for triethyl(hexadecan-2-yl)azanium is CCCCCCCCCCCCCCC(C)[N+](CC)(CC)CC.
What is the InChIKey of triethyl(hexadecan-2-yl)azanium?
The InChIKey is BVTWVLUHWVKEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22(5)23(7-2,8-3)9-4/h22H,6-21H2,1-5H3/q+1.
What are the key properties of triethyl(hexadecan-2-yl)azanium?
triethyl(hexadecan-2-yl)azanium has a molecular weight of 326.63 g/mol, XLogP of 7.34, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(hexadecan-2-yl)azanium is sourced from PubChem (CID 87135879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).