butan-2-yl-ethenyl-dimethylazanium

C8H18N+ — CID 123970475

IUPACbutan-2-yl-ethenyl-dimethylazanium
SMILESC=C[N+](C)(C)C(C)CC
InChIInChI=1S/C8H18N/c1-6-8(3)9(4,5)7-2/h7-8H,2,6H2,1,3-5H3/q+1
InChIKeyAGCVOIJUZPQPEH-UHFFFAOYSA-N
MW128.24 g/mol
LogP2.00
Rot. Bonds3

About butan-2-yl-ethenyl-dimethylazanium

butan-2-yl-ethenyl-dimethylazanium (PubChem CID 123970475) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is butan-2-yl-ethenyl-dimethylazanium.

Molecular Properties

Compound Namebutan-2-yl-ethenyl-dimethylazanium
PubChem CID123970475
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Namebutan-2-yl-ethenyl-dimethylazanium
SMILESC=C[N+](C)(C)C(C)CC
InChIInChI=1S/C8H18N/c1-6-8(3)9(4,5)7-2/h7-8H,2,6H2,1,3-5H3/q+1
InChIKeyAGCVOIJUZPQPEH-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.24
LogP ≤ 52.00
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

Vinyldiisopropylamine
CID 11412387
vinyl N,N-dipropylamine
CID 22037448
Dibutylamino ethylene
CID 22467866
N,N-bis(ethenyl)propan-2-amine
CID 134896310
1,4-Di-s-butyl-1,4-dihydropyrazine
CID 129788075
N-ethenyl-N-methylpropan-1-amine
CID 17841516
N-ethenyl-N-methylpropan-2-amine
CID 17841523
N-ethenyl-N-methylbutan-2-amine
CID 17841538
N-ethenyl-N-ethylbutan-1-amine
CID 18323502
N,N-bis(ethenyl)butan-1-amine;hydron;chloride
CID 20144596
N,N-bis(ethenyl)butan-1-amine
CID 20144597
N-ethenyl-N-methylcyclopropanamine
CID 20825929

Frequently Asked Questions

What is the IUPAC name of butan-2-yl-ethenyl-dimethylazanium?
The IUPAC name of butan-2-yl-ethenyl-dimethylazanium (CID 123970475) is butan-2-yl-ethenyl-dimethylazanium.
What is the SMILES notation for butan-2-yl-ethenyl-dimethylazanium?
The canonical SMILES for butan-2-yl-ethenyl-dimethylazanium is C=C[N+](C)(C)C(C)CC.
What is the InChIKey of butan-2-yl-ethenyl-dimethylazanium?
The InChIKey is AGCVOIJUZPQPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-6-8(3)9(4,5)7-2/h7-8H,2,6H2,1,3-5H3/q+1.
What are the key properties of butan-2-yl-ethenyl-dimethylazanium?
butan-2-yl-ethenyl-dimethylazanium has a molecular weight of 128.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-ethenyl-dimethylazanium is sourced from PubChem (CID 123970475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).