ethenyl-dimethyl-(2-methylpropyl)azanium

C8H18N+ — CID 123565109

IUPACethenyl-dimethyl-(2-methylpropyl)azanium
SMILESC=C[N+](C)(C)CC(C)C
InChIInChI=1S/C8H18N/c1-6-9(4,5)7-8(2)3/h6,8H,1,7H2,2-5H3/q+1
InChIKeyUWUNRPRQQIUJKE-UHFFFAOYSA-N
MW128.24 g/mol
LogP1.86
Rot. Bonds3

About ethenyl-dimethyl-(2-methylpropyl)azanium

ethenyl-dimethyl-(2-methylpropyl)azanium (PubChem CID 123565109) has the molecular formula C8H18N+ and a molecular weight of 128.24 g/mol. Its IUPAC name is ethenyl-dimethyl-(2-methylpropyl)azanium.

Molecular Properties

Compound Nameethenyl-dimethyl-(2-methylpropyl)azanium
PubChem CID123565109
Molecular FormulaC8H18N+
Molecular Weight128.24 g/mol
Exact Mass128.14
IUPAC Nameethenyl-dimethyl-(2-methylpropyl)azanium
SMILESC=C[N+](C)(C)CC(C)C
InChIInChI=1S/C8H18N/c1-6-9(4,5)7-8(2)3/h6,8H,1,7H2,2-5H3/q+1
InChIKeyUWUNRPRQQIUJKE-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

vinyl N,N-dipropylamine
CID 22037448
Dibutylamino ethylene
CID 22467866
N-ethenyl-N-ethylneopentylamine
CID 129180662
N-ethenyl-N-(2-methylpropyl)butan-1-amine
CID 134996462
2-methyl-N-(2-methylpropyl)-N-[(E)-prop-1-enyl]propan-1-amine
CID 13584990
N-ethenyl-N-methylpropan-1-amine
CID 17841516
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,N-bis(ethenyl)butan-1-amine;hydron
CID 21243475
N-Ethenyl-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 22467887
Bis(ethenyl)-dipropylazanium chloride
CID 23063025

Frequently Asked Questions

What is the IUPAC name of ethenyl-dimethyl-(2-methylpropyl)azanium?
The IUPAC name of ethenyl-dimethyl-(2-methylpropyl)azanium (CID 123565109) is ethenyl-dimethyl-(2-methylpropyl)azanium.
What is the SMILES notation for ethenyl-dimethyl-(2-methylpropyl)azanium?
The canonical SMILES for ethenyl-dimethyl-(2-methylpropyl)azanium is C=C[N+](C)(C)CC(C)C.
What is the InChIKey of ethenyl-dimethyl-(2-methylpropyl)azanium?
The InChIKey is UWUNRPRQQIUJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N/c1-6-9(4,5)7-8(2)3/h6,8H,1,7H2,2-5H3/q+1.
What are the key properties of ethenyl-dimethyl-(2-methylpropyl)azanium?
ethenyl-dimethyl-(2-methylpropyl)azanium has a molecular weight of 128.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-dimethyl-(2-methylpropyl)azanium is sourced from PubChem (CID 123565109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).