trimethyl(2-methylbut-1-enyl)azanium

C8H18N+ — CID 123714395

IUPACtrimethyl(2-methylbut-1-enyl)azanium
SMILESCCC(C)=C[N+](C)(C)C
InChIInChI=1S/C8H18N/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyXPEAFURUAVRLEA-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.01
Rot. Bonds2

About trimethyl(2-methylbut-1-enyl)azanium

trimethyl(2-methylbut-1-enyl)azanium (PubChem CID 123714395) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is trimethyl(2-methylbut-1-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-methylbut-1-enyl)azanium
PubChem CID123714395
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nametrimethyl(2-methylbut-1-enyl)azanium
SMILESCCC(C)=C[N+](C)(C)C
InChIInChI=1S/C8H18N/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/q+1
InChIKeyXPEAFURUAVRLEA-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.01
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

N,N-Dimethylisobutenylamine
CID 138858
cyclohexylidene-N,N-dimethylmethanamine
CID 12542934
N,N-Diethyl-2-methylprop-1-en-1-amine
CID 12693439
2-ethyl-N,N-dimethylbut-1-en-1-amine
CID 101374933
Isocrotyltrimethylammoniumchlorid
CID 129641693
(Z)-4-fluoro-N,N,2-trimethyl-3-methylidenepent-1-en-1-amine
CID 143551208
(1Z)-2-ethyl-3-(fluoromethyl)-N,N-dimethylbuta-1,3-dien-1-amine
CID 154937376
(Z)-3-fluoro-N,N,2-trimethylbut-1-en-1-amine
CID 169625009
N-(cyclopentylidenemethyl)-N-ethylethanamine
CID 12584846
N,N,4-trimethylpenta-1,2,3-trien-1-amine
CID 12779716
N,N-diethyl-4-methylpenta-1,2,3-trien-1-amine
CID 12779717
(Z)-N,N,2-trimethylbut-1-en-1-amine
CID 12816149

Frequently Asked Questions

What is the IUPAC name of trimethyl(2-methylbut-1-enyl)azanium?
The IUPAC name of trimethyl(2-methylbut-1-enyl)azanium (CID 123714395) is trimethyl(2-methylbut-1-enyl)azanium.
What is the SMILES notation for trimethyl(2-methylbut-1-enyl)azanium?
The canonical SMILES for trimethyl(2-methylbut-1-enyl)azanium is CCC(C)=C[N+](C)(C)C.
What is the InChIKey of trimethyl(2-methylbut-1-enyl)azanium?
The InChIKey is XPEAFURUAVRLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-6-8(2)7-9(3,4)5/h7H,6H2,1-5H3/q+1.
What are the key properties of trimethyl(2-methylbut-1-enyl)azanium?
trimethyl(2-methylbut-1-enyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-methylbut-1-enyl)azanium is sourced from PubChem (CID 123714395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).