2,2-dimethylbut-3-enylidene(dimethyl)azanium

C8H16N+ — CID 177028140

IUPAC2,2-dimethylbut-3-enylidene(dimethyl)azanium
SMILESC=CC(C)(C)C=[N+](C)C
InChIInChI=1S/C8H16N/c1-6-8(2,3)7-9(4)5/h6-7H,1H2,2-5H3/q+1
InChIKeySYGLENDXEZORIK-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.54
Rot. Bonds2

About 2,2-dimethylbut-3-enylidene(dimethyl)azanium

2,2-dimethylbut-3-enylidene(dimethyl)azanium (PubChem CID 177028140) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is 2,2-dimethylbut-3-enylidene(dimethyl)azanium.

Molecular Properties

Compound Name2,2-dimethylbut-3-enylidene(dimethyl)azanium
PubChem CID177028140
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Name2,2-dimethylbut-3-enylidene(dimethyl)azanium
SMILESC=CC(C)(C)C=[N+](C)C
InChIInChI=1S/C8H16N/c1-6-8(2,3)7-9(4)5/h6-7H,1H2,2-5H3/q+1
InChIKeySYGLENDXEZORIK-UHFFFAOYSA-N
XLogP1.54
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(4E)-3,3,6,6-tetramethylhepta-1,4-diene
CID 142855106
3,3-dimethylbut-1-ene;2,2-dimethylpropane
CID 162278792
ethene;bis(2,2,5,5-tetramethylhex-3-ene)
CID 162279391
1,1-dichloro-3,3-dimethylpenta-1,4-diene
CID 13089648
N-ethenyl-2,2-dimethylbut-3-en-1-imine
CID 169115736
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
3-methanidyl-3-methylbut-1-ene
CID 91253785
3,3,5,5-tetramethylhepta-1,6-dien-4-one
CID 14528511
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(3E)-5,5-dimethylhepta-3,6-dien-1-ol
CID 10441786
3-tert-butylperoxy-3-methylbut-1-ene
CID 11829716
3,3-dimethylbut-1-ene;bis(2-methylprop-1-ene)
CID 174260323

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbut-3-enylidene(dimethyl)azanium?
The IUPAC name of 2,2-dimethylbut-3-enylidene(dimethyl)azanium (CID 177028140) is 2,2-dimethylbut-3-enylidene(dimethyl)azanium.
What is the SMILES notation for 2,2-dimethylbut-3-enylidene(dimethyl)azanium?
The canonical SMILES for 2,2-dimethylbut-3-enylidene(dimethyl)azanium is C=CC(C)(C)C=[N+](C)C.
What is the InChIKey of 2,2-dimethylbut-3-enylidene(dimethyl)azanium?
The InChIKey is SYGLENDXEZORIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-6-8(2,3)7-9(4)5/h6-7H,1H2,2-5H3/q+1.
What are the key properties of 2,2-dimethylbut-3-enylidene(dimethyl)azanium?
2,2-dimethylbut-3-enylidene(dimethyl)azanium has a molecular weight of 126.22 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbut-3-enylidene(dimethyl)azanium is sourced from PubChem (CID 177028140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).