ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium

C10H20N+ — CID 123589192

IUPACethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium
SMILESC=C[N+](C)(C=C(C)CC)CC
InChIInChI=1S/C10H20N/c1-6-10(4)9-11(5,7-2)8-3/h7,9H,2,6,8H2,1,3-5H3/q+1
InChIKeyUNMKCJYXQKKDRC-UHFFFAOYSA-N
MW154.28 g/mol
LogP2.91
Rot. Bonds4

About ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium

ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium (PubChem CID 123589192) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium.

Molecular Properties

Compound Nameethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium
PubChem CID123589192
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Nameethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium
SMILESC=C[N+](C)(C=C(C)CC)CC
InChIInChI=1S/C10H20N/c1-6-10(4)9-11(5,7-2)8-3/h7,9H,2,6,8H2,1,3-5H3/q+1
InChIKeyUNMKCJYXQKKDRC-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.91
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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Frequently Asked Questions

What is the IUPAC name of ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium?
The IUPAC name of ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium (CID 123589192) is ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium.
What is the SMILES notation for ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium?
The canonical SMILES for ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium is C=C[N+](C)(C=C(C)CC)CC.
What is the InChIKey of ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium?
The InChIKey is UNMKCJYXQKKDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N/c1-6-10(4)9-11(5,7-2)8-3/h7,9H,2,6,8H2,1,3-5H3/q+1.
What are the key properties of ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium?
ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium has a molecular weight of 154.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-ethyl-methyl-(2-methylbut-1-enyl)azanium is sourced from PubChem (CID 123589192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).