ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium

C12H30N2+2 — CID 25995

IUPACethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
SMILESCC[N+](C)(C)CCCC[N+](C)(C)CC
InChIInChI=1S/C12H30N2/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-12H2,1-6H3/q+2
InChIKeyGOLSZLAZHOHMHH-UHFFFAOYSA-N
MW202.39 g/mol
LogP1.96
Rot. Bonds7

About ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium

ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium (PubChem CID 25995) has the molecular formula C12H30N2+2 and a molecular weight of 202.39 g/mol. Its IUPAC name is ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium.

Molecular Properties

Compound Nameethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
PubChem CID25995
Molecular FormulaC12H30N2+2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Nameethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
SMILESCC[N+](C)(C)CCCC[N+](C)(C)CC
InChIInChI=1S/C12H30N2/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-12H2,1-6H3/q+2
InChIKeyGOLSZLAZHOHMHH-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 51.96
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

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
dodecyl-ethyl-dimethylazanium;hydrate
CID 175307815
dimethyl(dioctadecyl)azanium;dodecyl-ethyl-dimethylazanium;dibromide
CID 175504473
ethyl-dimethyl-(3-silylpropyl)azanium
CID 123718595
6-(diethylamino)hexyl-ethyl-dimethylazanium
CID 123147852
ethyl-hexadecyl-dimethylazanium hexafluorophosphate
CID 140503012
ethyl-dimethyl-(16-methylheptadecyl)azanium
CID 11965084
dec-9-enyl-ethyl-dimethylazanium
CID 129287044
ethyl-dimethyl-octadecylazanium;sulfuric acid
CID 90169369
ethyl-dimethyl-octadecylazanium nitrate
CID 172736474
ethyl-dimethyl-pent-4-enylazanium
CID 139860339
dihydrogen phosphate;ethyl-dimethyl-pentylazanium
CID 122482074

Frequently Asked Questions

What is the IUPAC name of ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
The IUPAC name of ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium (CID 25995) is ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium.
What is the SMILES notation for ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
The canonical SMILES for ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium is CC[N+](C)(C)CCCC[N+](C)(C)CC.
What is the InChIKey of ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
The InChIKey is GOLSZLAZHOHMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2/c1-7-13(3,4)11-9-10-12-14(5,6)8-2/h7-12H2,1-6H3/q+2.
What are the key properties of ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium?
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium has a molecular weight of 202.39 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium is sourced from PubChem (CID 25995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).