dec-9-enyl-ethyl-dimethylazanium

C14H30N+ — CID 129287044

IUPACdec-9-enyl-ethyl-dimethylazanium
SMILESC=CCCCCCCCC[N+](C)(C)CC
InChIInChI=1S/C14H30N/c1-5-7-8-9-10-11-12-13-14-15(3,4)6-2/h5H,1,6-14H2,2-4H3/q+1
InChIKeyWDGDQIQWZVAFGM-UHFFFAOYSA-N
MW212.40 g/mol
LogP4.00
Rot. Bonds10

About dec-9-enyl-ethyl-dimethylazanium

dec-9-enyl-ethyl-dimethylazanium (PubChem CID 129287044) has the molecular formula C14H30N+ and a molecular weight of 212.40 g/mol. Its IUPAC name is dec-9-enyl-ethyl-dimethylazanium.

Molecular Properties

Compound Namedec-9-enyl-ethyl-dimethylazanium
PubChem CID129287044
Molecular FormulaC14H30N+
Molecular Weight212.40 g/mol
Exact Mass212.24
IUPAC Namedec-9-enyl-ethyl-dimethylazanium
SMILESC=CCCCCCCCC[N+](C)(C)CC
InChIInChI=1S/C14H30N/c1-5-7-8-9-10-11-12-13-14-15(3,4)6-2/h5H,1,6-14H2,2-4H3/q+1
InChIKeyWDGDQIQWZVAFGM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.40
LogP ≤ 54.00
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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Related Compounds

ethyl-dimethyl-pent-4-enylazanium
CID 139860339
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
CID 102116444
ethyl-[6-[2-[6-[2-[6-[2-[6-[2-[6-[ethyl(dimethyl)azaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl-dimethylazaniumyl]ethyl-dimethylazaniumyl]hexyl]-dimethylazanium
CID 101017980
ethyl-dimethyl-octadec-9-enylazanium bromide
CID 22958
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
bismuthane;oct-1-ene;sulfane
CID 174601016
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadec-1-ene;tetradec-1-ene
CID 158470925

Frequently Asked Questions

What is the IUPAC name of dec-9-enyl-ethyl-dimethylazanium?
The IUPAC name of dec-9-enyl-ethyl-dimethylazanium (CID 129287044) is dec-9-enyl-ethyl-dimethylazanium.
What is the SMILES notation for dec-9-enyl-ethyl-dimethylazanium?
The canonical SMILES for dec-9-enyl-ethyl-dimethylazanium is C=CCCCCCCCC[N+](C)(C)CC.
What is the InChIKey of dec-9-enyl-ethyl-dimethylazanium?
The InChIKey is WDGDQIQWZVAFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N/c1-5-7-8-9-10-11-12-13-14-15(3,4)6-2/h5H,1,6-14H2,2-4H3/q+1.
What are the key properties of dec-9-enyl-ethyl-dimethylazanium?
dec-9-enyl-ethyl-dimethylazanium has a molecular weight of 212.40 g/mol, XLogP of 4.00, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dec-9-enyl-ethyl-dimethylazanium is sourced from PubChem (CID 129287044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).