dodecyl-ethyl-dimethylazanium;hydrate

C16H38NO+ — CID 175307815

IUPACdodecyl-ethyl-dimethylazanium;hydrate
SMILESCCCCCCCCCCCC[N+](C)(C)CC.O
InChIInChI=1S/C16H36N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H2/q+1;
InChIKeyRDMGYRFGSBZYHW-UHFFFAOYSA-N
MW260.49 g/mol
LogP4.18
Rot. Bonds12

About dodecyl-ethyl-dimethylazanium;hydrate

dodecyl-ethyl-dimethylazanium;hydrate (PubChem CID 175307815) has the molecular formula C16H38NO+ and a molecular weight of 260.49 g/mol. Its IUPAC name is dodecyl-ethyl-dimethylazanium;hydrate.

Molecular Properties

Compound Namedodecyl-ethyl-dimethylazanium;hydrate
PubChem CID175307815
Molecular FormulaC16H38NO+
Molecular Weight260.49 g/mol
Exact Mass260.29
IUPAC Namedodecyl-ethyl-dimethylazanium;hydrate
SMILESCCCCCCCCCCCC[N+](C)(C)CC.O
InChIInChI=1S/C16H36N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H2/q+1;
InChIKeyRDMGYRFGSBZYHW-UHFFFAOYSA-N
XLogP4.18
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 54.18
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(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
dimethyl-pentyl-tridecylazanium
CID 160884159
dodecyl-dimethyl-undecylazanium
CID 21491028

Frequently Asked Questions

What is the IUPAC name of dodecyl-ethyl-dimethylazanium;hydrate?
The IUPAC name of dodecyl-ethyl-dimethylazanium;hydrate (CID 175307815) is dodecyl-ethyl-dimethylazanium;hydrate.
What is the SMILES notation for dodecyl-ethyl-dimethylazanium;hydrate?
The canonical SMILES for dodecyl-ethyl-dimethylazanium;hydrate is CCCCCCCCCCCC[N+](C)(C)CC.O.
What is the InChIKey of dodecyl-ethyl-dimethylazanium;hydrate?
The InChIKey is RDMGYRFGSBZYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.H2O/c1-5-7-8-9-10-11-12-13-14-15-16-17(3,4)6-2;/h5-16H2,1-4H3;1H2/q+1;.
What are the key properties of dodecyl-ethyl-dimethylazanium;hydrate?
dodecyl-ethyl-dimethylazanium;hydrate has a molecular weight of 260.49 g/mol, XLogP of 4.18, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-ethyl-dimethylazanium;hydrate is sourced from PubChem (CID 175307815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).