docosan-2-yl(trimethyl)azanium

C25H54N+ — CID 141375855

IUPACdocosan-2-yl(trimethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C
InChIInChI=1S/C25H54N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(3,4)5/h25H,6-24H2,1-5H3/q+1
InChIKeyDOYMWNUFZMIBFV-UHFFFAOYSA-N
MW368.71 g/mol
LogP8.51
Rot. Bonds20

About docosan-2-yl(trimethyl)azanium

docosan-2-yl(trimethyl)azanium (PubChem CID 141375855) has the molecular formula C25H54N+ and a molecular weight of 368.71 g/mol. Its IUPAC name is docosan-2-yl(trimethyl)azanium.

Molecular Properties

Compound Namedocosan-2-yl(trimethyl)azanium
PubChem CID141375855
Molecular FormulaC25H54N+
Molecular Weight368.71 g/mol
Exact Mass368.43
IUPAC Namedocosan-2-yl(trimethyl)azanium
SMILESCCCCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C
InChIInChI=1S/C25H54N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(3,4)5/h25H,6-24H2,1-5H3/q+1
InChIKeyDOYMWNUFZMIBFV-UHFFFAOYSA-N
XLogP8.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 58.51
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

icosan-2-yl(trimethyl)azanium chloride
CID 139396717
decan-2-yl(trimethyl)azanium chloride
CID 174768597
bis(decan-2-yl(trimethyl)azanium);sulfate
CID 175575205
dodecyl(trimethyl)azanium;trimethyl(tetradecan-2-yl)azanium;dibromide
CID 173166740
8-hydroxydodecan-2-yl(trimethyl)azanium
CID 174636194
methyl-tri(octan-2-yl)azanium chloride
CID 12783666
decan-2-yl-dimethyl-pentadecylazanium
CID 87697488
heptadecan-2-yl-hexadecyl-dimethylazanium
CID 175181629
decyl-dimethyl-pentadecan-2-ylazanium
CID 88599864
triethyl(octan-2-yl)azanium
CID 57165770
triethyl(hexadecan-2-yl)azanium
CID 87135879
ethyl-heptan-2-yl-dimethylazanium
CID 123202760

Frequently Asked Questions

What is the IUPAC name of docosan-2-yl(trimethyl)azanium?
The IUPAC name of docosan-2-yl(trimethyl)azanium (CID 141375855) is docosan-2-yl(trimethyl)azanium.
What is the SMILES notation for docosan-2-yl(trimethyl)azanium?
The canonical SMILES for docosan-2-yl(trimethyl)azanium is CCCCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C.
What is the InChIKey of docosan-2-yl(trimethyl)azanium?
The InChIKey is DOYMWNUFZMIBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H54N/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)26(3,4)5/h25H,6-24H2,1-5H3/q+1.
What are the key properties of docosan-2-yl(trimethyl)azanium?
docosan-2-yl(trimethyl)azanium has a molecular weight of 368.71 g/mol, XLogP of 8.51, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for docosan-2-yl(trimethyl)azanium is sourced from PubChem (CID 141375855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).