butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide

C10H20BrNO2 — CID 87218117

IUPACbutyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide
SMILESC=C(C)C(=O)O[N+](C)(C)CCCC.[Br-]
InChIInChI=1S/C10H20NO2.BrH/c1-6-7-8-11(4,5)13-10(12)9(2)3;/h2,6-8H2,1,3-5H3;1H/q+1;/p-1
InChIKeyTZDRJMZSZJYNKH-UHFFFAOYSA-M
MW266.18 g/mol
LogP-1.10
Rot. Bonds5

About butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide

butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide (PubChem CID 87218117) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide.

Molecular Properties

Compound Namebutyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide
PubChem CID87218117
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Namebutyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide
SMILESC=C(C)C(=O)O[N+](C)(C)CCCC.[Br-]
InChIInChI=1S/C10H20NO2.BrH/c1-6-7-8-11(4,5)13-10(12)9(2)3;/h2,6-8H2,1,3-5H3;1H/q+1;/p-1
InChIKeyTZDRJMZSZJYNKH-UHFFFAOYSA-M
XLogP-1.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
bis(ethyl-dimethyl-(2-methylprop-2-enoyloxy)azanium);sulfate
CID 156858936
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 166790156
butyl-ethyl-methyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 172780069
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-tetradecylazanium
CID 175070696
decyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 166790157
dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]-propylazanium bromide
CID 175171875
butyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 87942393
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669
dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
CID 139894451
dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 15616472

Frequently Asked Questions

What is the IUPAC name of butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide?
The IUPAC name of butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide (CID 87218117) is butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide.
What is the SMILES notation for butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide?
The canonical SMILES for butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide is C=C(C)C(=O)O[N+](C)(C)CCCC.[Br-].
What is the InChIKey of butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide?
The InChIKey is TZDRJMZSZJYNKH-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20NO2.BrH/c1-6-7-8-11(4,5)13-10(12)9(2)3;/h2,6-8H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide?
butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide has a molecular weight of 266.18 g/mol, XLogP of -1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-dimethyl-(2-methylprop-2-enoyloxy)azanium bromide is sourced from PubChem (CID 87218117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).