dimethyl-octadecyl-tricosylazanium

C43H90N+ — CID 158669819

IUPACdimethyl-octadecyl-tricosylazanium
SMILESCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H90N/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-44(3,4)42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-2/h5-43H2,1-4H3/q+1
InChIKeyRLBHCVXPSYRSRW-UHFFFAOYSA-N
MW621.20 g/mol
LogP15.54
Rot. Bonds39

About dimethyl-octadecyl-tricosylazanium

dimethyl-octadecyl-tricosylazanium (PubChem CID 158669819) has the molecular formula C43H90N+ and a molecular weight of 621.20 g/mol. Its IUPAC name is dimethyl-octadecyl-tricosylazanium.

Molecular Properties

Compound Namedimethyl-octadecyl-tricosylazanium
PubChem CID158669819
Molecular FormulaC43H90N+
Molecular Weight621.20 g/mol
Exact Mass620.71
IUPAC Namedimethyl-octadecyl-tricosylazanium
SMILESCCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H90N/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-44(3,4)42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-2/h5-43H2,1-4H3/q+1
InChIKeyRLBHCVXPSYRSRW-UHFFFAOYSA-N
XLogP15.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds39
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.20
LogP ≤ 515.54
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

dodecyl-dimethyl-undecylazanium
CID 21491028
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870

Frequently Asked Questions

What is the IUPAC name of dimethyl-octadecyl-tricosylazanium?
The IUPAC name of dimethyl-octadecyl-tricosylazanium (CID 158669819) is dimethyl-octadecyl-tricosylazanium.
What is the SMILES notation for dimethyl-octadecyl-tricosylazanium?
The canonical SMILES for dimethyl-octadecyl-tricosylazanium is CCCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.
What is the InChIKey of dimethyl-octadecyl-tricosylazanium?
The InChIKey is RLBHCVXPSYRSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H90N/c1-5-7-9-11-13-15-17-19-21-23-24-25-26-27-29-31-33-35-37-39-41-43-44(3,4)42-40-38-36-34-32-30-28-22-20-18-16-14-12-10-8-6-2/h5-43H2,1-4H3/q+1.
What are the key properties of dimethyl-octadecyl-tricosylazanium?
dimethyl-octadecyl-tricosylazanium has a molecular weight of 621.20 g/mol, XLogP of 15.54, 39 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-octadecyl-tricosylazanium is sourced from PubChem (CID 158669819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).