azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride

C12H28Cl2N2O2 — CID 174806210

IUPACazane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride
SMILESC=C(C)C(=O)OCCCC(C)[N+](C)(C)C.Cl.N.[Cl-]
InChIInChI=1S/C12H24NO2.2ClH.H3N/c1-10(2)12(14)15-9-7-8-11(3)13(4,5)6;;;/h11H,1,7-9H2,2-6H3;2*1H;1H3/q+1;;;/p-1
InChIKeyNXTBAXVBVHFKOY-UHFFFAOYSA-M
MW303.27 g/mol
LogP-0.43
Rot. Bonds6

About azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride

azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride (PubChem CID 174806210) has the molecular formula C12H28Cl2N2O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride
PubChem CID174806210
Molecular FormulaC12H28Cl2N2O2
Molecular Weight303.27 g/mol
Exact Mass302.15
IUPAC Nameazane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride
SMILESC=C(C)C(=O)OCCCC(C)[N+](C)(C)C.Cl.N.[Cl-]
InChIInChI=1S/C12H24NO2.2ClH.H3N/c1-10(2)12(14)15-9-7-8-11(3)13(4,5)6;;;/h11H,1,7-9H2,2-6H3;2*1H;1H3/q+1;;;/p-1
InChIKeyNXTBAXVBVHFKOY-UHFFFAOYSA-M
XLogP-0.43
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tris(trimethyl-[4-(2-methylprop-2-enoyloxy)butan-2-yl]azanium);phosphate
CID 174564236
(5-hydroxy-4-methylhexyl) 2-methylprop-2-enoate
CID 173435405
(6-hydroxy-4-methylheptyl) 2-methylprop-2-enoate
CID 175163643
triethyl-[2-hydroxy-6-(2-methylprop-2-enoyloxy)hexan-3-yl]azanium
CID 174741462
triethyl-[2-hydroxy-6-(2-methylprop-2-enoyloxy)hexan-3-yl]azanium chloride
CID 174741461
[2-hydroxy-8-(2-methylprop-2-enoyloxy)octyl]-trimethylazanium bromide
CID 140876270
bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
2-hydroxy-6-(2-methylprop-2-enoyloxy)hexane-3-sulfonic acid
CID 174585687
6-(2-methylprop-2-enoyloxy)-2-(trimethylazaniumyl)hexanoate
CID 122613583
2-acetyl-5-(2-methylprop-2-enoyloxy)pentanoic acid
CID 174833917
azane;trimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium;iodide;hydroiodide
CID 174627392
[2-hydroxy-4-(2-methylprop-2-enoyloxy)butyl]-trimethylazanium bromide
CID 140876303

Frequently Asked Questions

What is the IUPAC name of azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride?
The IUPAC name of azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride (CID 174806210) is azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride.
What is the SMILES notation for azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride?
The canonical SMILES for azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride is C=C(C)C(=O)OCCCC(C)[N+](C)(C)C.Cl.N.[Cl-].
What is the InChIKey of azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride?
The InChIKey is NXTBAXVBVHFKOY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H24NO2.2ClH.H3N/c1-10(2)12(14)15-9-7-8-11(3)13(4,5)6;;;/h11H,1,7-9H2,2-6H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride?
azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride has a molecular weight of 303.27 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trimethyl-[5-(2-methylprop-2-enoyloxy)pentan-2-yl]azanium;chloride;hydrochloride is sourced from PubChem (CID 174806210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).