amino(trimethyl)azanium;ethyl(trimethyl)azanium

C8H25N3+2 — CID 173458972

IUPACamino(trimethyl)azanium;ethyl(trimethyl)azanium
SMILESCC[N+](C)(C)C.C[N+](C)(C)N
InChIInChI=1S/C5H14N.C3H11N2/c1-5-6(2,3)4;1-5(2,3)4/h5H2,1-4H3;4H2,1-3H3/q2*+1
InChIKeyGPSSTCVQSWRDAF-UHFFFAOYSA-N
MW163.31 g/mol
LogP0.28
Rot. Bonds1

About amino(trimethyl)azanium;ethyl(trimethyl)azanium

amino(trimethyl)azanium;ethyl(trimethyl)azanium (PubChem CID 173458972) has the molecular formula C8H25N3+2 and a molecular weight of 163.31 g/mol. Its IUPAC name is amino(trimethyl)azanium;ethyl(trimethyl)azanium.

Molecular Properties

Compound Nameamino(trimethyl)azanium;ethyl(trimethyl)azanium
PubChem CID173458972
Molecular FormulaC8H25N3+2
Molecular Weight163.31 g/mol
Exact Mass163.20
IUPAC Nameamino(trimethyl)azanium;ethyl(trimethyl)azanium
SMILESCC[N+](C)(C)C.C[N+](C)(C)N
InChIInChI=1S/C5H14N.C3H11N2/c1-5-6(2,3)4;1-5(2,3)4/h5H2,1-4H3;4H2,1-3H3/q2*+1
InChIKeyGPSSTCVQSWRDAF-UHFFFAOYSA-N
XLogP0.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl(trimethyl)azanium;dihydrate
CID 174491612
ethyl(trimethyl)azanium;methane;trimethyl(propan-2-yl)azanium
CID 161494736
ethyl(trimethyl)azanium;2-methylprop-2-enamide;chloride;hydrate
CID 175420693
ethyl-dimethyl-[(trimethylazaniumyl)methyl]azanium
CID 18716516
diethyl-methanidyl-methylazanium
CID 123448649
methanediamine;propane
CID 157068020
ethyl(trimethyl)azanium;tetrahexylazanium;dihydroxide
CID 169001800
ethyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 157278178
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
amino-diethyl-(methylamino)azanium
CID 54443798
diethyl(dimethyl)azanium;bromide;hydrate
CID 174914404
N,N-dimethylethanamine oxide;hydrochloride
CID 42639630

Frequently Asked Questions

What is the IUPAC name of amino(trimethyl)azanium;ethyl(trimethyl)azanium?
The IUPAC name of amino(trimethyl)azanium;ethyl(trimethyl)azanium (CID 173458972) is amino(trimethyl)azanium;ethyl(trimethyl)azanium.
What is the SMILES notation for amino(trimethyl)azanium;ethyl(trimethyl)azanium?
The canonical SMILES for amino(trimethyl)azanium;ethyl(trimethyl)azanium is CC[N+](C)(C)C.C[N+](C)(C)N.
What is the InChIKey of amino(trimethyl)azanium;ethyl(trimethyl)azanium?
The InChIKey is GPSSTCVQSWRDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N.C3H11N2/c1-5-6(2,3)4;1-5(2,3)4/h5H2,1-4H3;4H2,1-3H3/q2*+1.
What are the key properties of amino(trimethyl)azanium;ethyl(trimethyl)azanium?
amino(trimethyl)azanium;ethyl(trimethyl)azanium has a molecular weight of 163.31 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino(trimethyl)azanium;ethyl(trimethyl)azanium is sourced from PubChem (CID 173458972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).