ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium

C13H38N2+2 — CID 161494736

IUPACethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
SMILESC.C.CC(C)[N+](C)(C)C.CC[N+](C)(C)C
InChIInChI=1S/C6H16N.C5H14N.2CH4/c1-6(2)7(3,4)5;1-5-6(2,3)4;;/h6H,1-5H3;5H2,1-4H3;2*1H4/q2*+1;;
InChIKeyUCKQKBYCAORSTH-UHFFFAOYSA-N
MW222.46 g/mol
LogP3.09
Rot. Bonds2

About ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium

ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium (PubChem CID 161494736) has the molecular formula C13H38N2+2 and a molecular weight of 222.46 g/mol. Its IUPAC name is ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium.

Molecular Properties

Compound Nameethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
PubChem CID161494736
Molecular FormulaC13H38N2+2
Molecular Weight222.46 g/mol
Exact Mass222.30
IUPAC Nameethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
SMILESC.C.CC(C)[N+](C)(C)C.CC[N+](C)(C)C
InChIInChI=1S/C6H16N.C5H14N.2CH4/c1-6(2)7(3,4)5;1-5-6(2,3)4;;/h6H,1-5H3;5H2,1-4H3;2*1H4/q2*+1;;
InChIKeyUCKQKBYCAORSTH-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethyl(trimethyl)azanium;dihydrate
CID 174491612
amino(trimethyl)azanium;ethyl(trimethyl)azanium
CID 173458972
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
methane;trimethyl(2-methylbutyl)azanium
CID 162147033
ethyl-methyl-propan-2-yl-propylazanium
CID 87299517
ethyl-methyl-(2-methylpropyl)-propan-2-ylazanium
CID 19814723
triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium
CID 166895994
ethyl-methyl-di(propan-2-yl)azanium hexafluorophosphate
CID 11460434
CID 159681930
CID 159681930
trimethyl-[(2S)-1-[[(2R)-2-(trimethylazaniumyl)propyl]disulfanyl]propan-2-yl]azanium
CID 7452331
butan-2-ylbenzene;ethyl(trimethyl)azanium;chloride
CID 169426198
ethyl(trimethyl)azanium;2-methylpropane;styrene
CID 90953854

Frequently Asked Questions

What is the IUPAC name of ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium?
The IUPAC name of ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium (CID 161494736) is ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium.
What is the SMILES notation for ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium?
The canonical SMILES for ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium is C.C.CC(C)[N+](C)(C)C.CC[N+](C)(C)C.
What is the InChIKey of ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium?
The InChIKey is UCKQKBYCAORSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N.C5H14N.2CH4/c1-6(2)7(3,4)5;1-5-6(2,3)4;;/h6H,1-5H3;5H2,1-4H3;2*1H4/q2*+1;;.
What are the key properties of ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium?
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium has a molecular weight of 222.46 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium is sourced from PubChem (CID 161494736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).