trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium

C11H23N2O+ — CID 87943190

IUPACtrimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCC(C)C[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)11(14)12-7-10(3)8-13(4,5)6/h10H,1,7-8H2,2-6H3/p+1
InChIKeyPLVLEBPNSZCJEG-UHFFFAOYSA-O
MW199.32 g/mol
LogP1.02
Rot. Bonds5

About trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium

trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium (PubChem CID 87943190) has the molecular formula C11H23N2O+ and a molecular weight of 199.32 g/mol. Its IUPAC name is trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
PubChem CID87943190
Molecular FormulaC11H23N2O+
Molecular Weight199.32 g/mol
Exact Mass199.18
IUPAC Nametrimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
SMILESC=C(C)C(=O)NCC(C)C[N+](C)(C)C
InChIInChI=1S/C11H22N2O/c1-9(2)11(14)12-7-10(3)8-13(4,5)6/h10H,1,7-8H2,2-6H3/p+1
InChIKeyPLVLEBPNSZCJEG-UHFFFAOYSA-O
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 87755917
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
[3-[dimethyl-[(2-methylprop-2-enoylamino)methyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium;ethene;methane
CID 160738294
[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 138394841
2-methyl-N-[2-methyl-3-[3-methyl-4-[1-(2-methylprop-2-enoylamino)propan-2-yloxy]butan-2-yl]oxypropyl]prop-2-enamide
CID 139442661
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium?
The IUPAC name of trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium (CID 87943190) is trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium.
What is the SMILES notation for trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium?
The canonical SMILES for trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium is C=C(C)C(=O)NCC(C)C[N+](C)(C)C.
What is the InChIKey of trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium?
The InChIKey is PLVLEBPNSZCJEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H22N2O/c1-9(2)11(14)12-7-10(3)8-13(4,5)6/h10H,1,7-8H2,2-6H3/p+1.
What are the key properties of trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium?
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium has a molecular weight of 199.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium is sourced from PubChem (CID 87943190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).