trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium

C10H21N2O2+ — CID 174605040

IUPACtrimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
SMILESC=C(C)C(=O)OC(C)CN[N+](C)(C)C
InChIInChI=1S/C10H21N2O2/c1-8(2)10(13)14-9(3)7-11-12(4,5)6/h9,11H,1,7H2,2-6H3/q+1
InChIKeyBTSAYKMCCWOLPX-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.70
Rot. Bonds5

About trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium

trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium (PubChem CID 174605040) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
PubChem CID174605040
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium
SMILESC=C(C)C(=O)OC(C)CN[N+](C)(C)C
InChIInChI=1S/C10H21N2O2/c1-8(2)10(13)14-9(3)7-11-12(4,5)6/h9,11H,1,7H2,2-6H3/q+1
InChIKeyBTSAYKMCCWOLPX-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-(fluoromethylsulfonylamino)propan-2-yl 2-methylprop-2-enoate
CID 121329840
trimethoxy-[1-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
CID 175093627
trihydroxy-[2-(2-methylprop-2-enoyloxy)propyl]phosphanium
CID 154142538
1-[2-(2-methylprop-2-enoyloxy)propoxyperoxy]propan-2-yl 2-methylprop-2-enoate
CID 90187084
methanesulfonic acid;trimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 174446040
propan-2-yl 2-methylprop-2-enoate
CID 146421311
1-(disulfanyl)propan-2-yl 2-methylprop-2-enoate
CID 174221047
1-hydroxyethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 18552290
ethane;ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 140517255
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
2-(2-methylprop-2-enoyloxy)propoxyazanium chloride
CID 19386098

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium (CID 174605040) is trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium is C=C(C)C(=O)OC(C)CN[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium?
The InChIKey is BTSAYKMCCWOLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2/c1-8(2)10(13)14-9(3)7-11-12(4,5)6/h9,11H,1,7H2,2-6H3/q+1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium?
trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium has a molecular weight of 201.29 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoyloxy)propylamino]azanium is sourced from PubChem (CID 174605040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).