ethyl-dimethyl-octadec-9-enylazanium

C22H46N+ — CID 22959

IUPACethyl-dimethyl-octadec-9-enylazanium
SMILESCCCCCCCCC=CCCCCCCCC[N+](C)(C)CC
InChIInChI=1S/C22H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h13-14H,5-12,15-22H2,1-4H3/q+1
InChIKeyWABIMBGBOXIAEH-UHFFFAOYSA-N
MW324.62 g/mol
LogP7.12
Rot. Bonds17

About ethyl-dimethyl-octadec-9-enylazanium

ethyl-dimethyl-octadec-9-enylazanium (PubChem CID 22959) has the molecular formula C22H46N+ and a molecular weight of 324.62 g/mol. Its IUPAC name is ethyl-dimethyl-octadec-9-enylazanium.

Molecular Properties

Compound Nameethyl-dimethyl-octadec-9-enylazanium
PubChem CID22959
Molecular FormulaC22H46N+
Molecular Weight324.62 g/mol
Exact Mass324.36
IUPAC Nameethyl-dimethyl-octadec-9-enylazanium
SMILESCCCCCCCCC=CCCCCCCCC[N+](C)(C)CC
InChIInChI=1S/C22H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h13-14H,5-12,15-22H2,1-4H3/q+1
InChIKeyWABIMBGBOXIAEH-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.62
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-octadec-9-enylazanium?
The IUPAC name of ethyl-dimethyl-octadec-9-enylazanium (CID 22959) is ethyl-dimethyl-octadec-9-enylazanium.
What is the SMILES notation for ethyl-dimethyl-octadec-9-enylazanium?
The canonical SMILES for ethyl-dimethyl-octadec-9-enylazanium is CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-octadec-9-enylazanium?
The InChIKey is WABIMBGBOXIAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(3,4)6-2/h13-14H,5-12,15-22H2,1-4H3/q+1.
What are the key properties of ethyl-dimethyl-octadec-9-enylazanium?
ethyl-dimethyl-octadec-9-enylazanium has a molecular weight of 324.62 g/mol, XLogP of 7.12, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-octadec-9-enylazanium is sourced from PubChem (CID 22959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).