diethyl-methyl-(2-methylbut-1-enyl)azanium

C10H22N+ — CID 123350579

IUPACdiethyl-methyl-(2-methylbut-1-enyl)azanium
SMILESCCC(C)=C[N+](C)(CC)CC
InChIInChI=1S/C10H22N/c1-6-10(4)9-11(5,7-2)8-3/h9H,6-8H2,1-5H3/q+1
InChIKeyAUAQGEDHKHKGJX-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.79
Rot. Bonds4

About diethyl-methyl-(2-methylbut-1-enyl)azanium

diethyl-methyl-(2-methylbut-1-enyl)azanium (PubChem CID 123350579) has the molecular formula C10H22N+ and a molecular weight of 156.29 g/mol. Its IUPAC name is diethyl-methyl-(2-methylbut-1-enyl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(2-methylbut-1-enyl)azanium
PubChem CID123350579
Molecular FormulaC10H22N+
Molecular Weight156.29 g/mol
Exact Mass156.17
IUPAC Namediethyl-methyl-(2-methylbut-1-enyl)azanium
SMILESCCC(C)=C[N+](C)(CC)CC
InChIInChI=1S/C10H22N/c1-6-10(4)9-11(5,7-2)8-3/h9H,6-8H2,1-5H3/q+1
InChIKeyAUAQGEDHKHKGJX-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of diethyl-methyl-(2-methylbut-1-enyl)azanium?
The IUPAC name of diethyl-methyl-(2-methylbut-1-enyl)azanium (CID 123350579) is diethyl-methyl-(2-methylbut-1-enyl)azanium.
What is the SMILES notation for diethyl-methyl-(2-methylbut-1-enyl)azanium?
The canonical SMILES for diethyl-methyl-(2-methylbut-1-enyl)azanium is CCC(C)=C[N+](C)(CC)CC.
What is the InChIKey of diethyl-methyl-(2-methylbut-1-enyl)azanium?
The InChIKey is AUAQGEDHKHKGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N/c1-6-10(4)9-11(5,7-2)8-3/h9H,6-8H2,1-5H3/q+1.
What are the key properties of diethyl-methyl-(2-methylbut-1-enyl)azanium?
diethyl-methyl-(2-methylbut-1-enyl)azanium has a molecular weight of 156.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(2-methylbut-1-enyl)azanium is sourced from PubChem (CID 123350579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).