ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium

C16H34N2+2 — CID 171628713

IUPACethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium
SMILESC=C[N+](C)(C)CC(C)(C)C(C)(C)C[N+](C)(C)C=C
InChIInChI=1S/C16H34N2/c1-11-17(7,8)13-15(3,4)16(5,6)14-18(9,10)12-2/h11-12H,1-2,13-14H2,3-10H3/q+2
InChIKeyQIYRVACXXVHOSF-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.48
Rot. Bonds7

About ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium

ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium (PubChem CID 171628713) has the molecular formula C16H34N2+2 and a molecular weight of 254.46 g/mol. Its IUPAC name is ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium.

Molecular Properties

Compound Nameethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium
PubChem CID171628713
Molecular FormulaC16H34N2+2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Nameethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium
SMILESC=C[N+](C)(C)CC(C)(C)C(C)(C)C[N+](C)(C)C=C
InChIInChI=1S/C16H34N2/c1-11-17(7,8)13-15(3,4)16(5,6)14-18(9,10)12-2/h11-12H,1-2,13-14H2,3-10H3/q+2
InChIKeyQIYRVACXXVHOSF-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.48
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

ethenyl(trimethyl)azanium;formaldehyde
CID 118496575
diethyl-methyl-(2-methyl-2-prop-2-enoxypropyl)azanium
CID 145267662
3,3-dimethylpent-1-ene;ethane
CID 142059460
2-chloropropan-2-yl-dimethyl-prop-2-enylazanium
CID 174955860
ethyl-dimethyl-(4-methylhepta-1,6-dien-4-yl)azanium
CID 139860318
2-[dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azaniumyl]acetate
CID 88537521
trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium chloride
CID 11775668
2,2,4,4,7,7,9,9-octamethyldec-5-ene
CID 90796396
lithium 5,5-dimethylhex-1-ene
CID 174429369
N,2,2-trimethylbut-3-en-1-amine
CID 55288138
dimethyl-bis(prop-2-enyl)azanium;2,2-dimethylpropanoic acid
CID 87375261
tert-butyl-methyl-prop-2-enyl-propylazanium
CID 175239273

Frequently Asked Questions

What is the IUPAC name of ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium?
The IUPAC name of ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium (CID 171628713) is ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium.
What is the SMILES notation for ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium?
The canonical SMILES for ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium is C=C[N+](C)(C)CC(C)(C)C(C)(C)C[N+](C)(C)C=C.
What is the InChIKey of ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium?
The InChIKey is QIYRVACXXVHOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-11-17(7,8)13-15(3,4)16(5,6)14-18(9,10)12-2/h11-12H,1-2,13-14H2,3-10H3/q+2.
What are the key properties of ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium?
ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium has a molecular weight of 254.46 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[4-[ethenyl(dimethyl)azaniumyl]-2,2,3,3-tetramethylbutyl]-dimethylazanium is sourced from PubChem (CID 171628713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).