ethyl-dimethyl-octadecan-9-ylazanium

C22H48N+ — CID 21324513

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

About ethyl-dimethyl-octadecan-9-ylazanium

ethyl-dimethyl-octadecan-9-ylazanium (PubChem CID 21324513) has the molecular formula C22H48N+ and a molecular weight of 326.63 g/mol. Its IUPAC name is ethyl-dimethyl-octadecan-9-ylazanium.

Molecular Properties

Compound Nameethyl-dimethyl-octadecan-9-ylazanium
PubChem CID21324513
Molecular FormulaC22H48N+
Molecular Weight326.63 g/mol
Exact Mass326.38
IUPAC Nameethyl-dimethyl-octadecan-9-ylazanium
SMILESCCCCCCCCCC(CCCCCCCC)[N+](C)(C)CC
InChIInChI=1S/C22H48N/c1-6-9-11-13-15-17-19-21-22(23(4,5)8-3)20-18-16-14-12-10-7-2/h22H,6-21H2,1-5H3/q+1
InChIKeyCCPHUXLGFVNTCW-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

dimethyl-nonacosan-13-yl-octadecylazanium chloride
CID 176902314
trimethyl(octadecan-9-yl)azanium chloride
CID 86184812
dimethyl-octadecyl-octan-3-ylazanium
CID 22995160
ethyl-heptan-2-yl-dimethylazanium
CID 123202760
decan-5-yl(trimethyl)azanium
CID 71390285
heptatriacontan-19-yl-methyl-dioctadecylazanium
CID 174891998
docosan-3-yl(trimethyl)azanium chloride
CID 87279743
dimethyl-di(octan-3-yl)azanium
CID 155126039
N,N-dimethyltetradecan-3-amine oxide
CID 88695896
hydroxy-dimethyl-tetradecan-3-ylazanium
CID 87744782
1-hydroxyicosan-2-yl(trimethyl)azanium
CID 122612180
dodecan-3-yl-diethyl-hydroxyazanium
CID 87744020

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-octadecan-9-ylazanium?
The IUPAC name of ethyl-dimethyl-octadecan-9-ylazanium (CID 21324513) is ethyl-dimethyl-octadecan-9-ylazanium.
What is the SMILES notation for ethyl-dimethyl-octadecan-9-ylazanium?
The canonical SMILES for ethyl-dimethyl-octadecan-9-ylazanium is CCCCCCCCCC(CCCCCCCC)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-octadecan-9-ylazanium?
The InChIKey is CCPHUXLGFVNTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H48N/c1-6-9-11-13-15-17-19-21-22(23(4,5)8-3)20-18-16-14-12-10-7-2/h22H,6-21H2,1-5H3/q+1.
What are the key properties of ethyl-dimethyl-octadecan-9-ylazanium?
ethyl-dimethyl-octadecan-9-ylazanium 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 ethyl-dimethyl-octadecan-9-ylazanium is sourced from PubChem (CID 21324513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).