[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium

C14H31N3O2+2 — CID 138394841

IUPAC[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
SMILESC=C(C)C(=O)NCC[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C14H30N3O2/c1-12(2)14(19)15-8-9-17(6,7)11-13(18)10-16(3,4)5/h13,18H,1,8-11H2,2-7H3/q+1/p+1
InChIKeyMUVFTFXTRNALGN-UHFFFAOYSA-O
MW273.42 g/mol
LogP-0.18
Rot. Bonds8

About [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium

[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium (PubChem CID 138394841) has the molecular formula C14H31N3O2+2 and a molecular weight of 273.42 g/mol. Its IUPAC name is [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium.

Molecular Properties

Compound Name[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
PubChem CID138394841
Molecular FormulaC14H31N3O2+2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
SMILESC=C(C)C(=O)NCC[N+](C)(C)CC(O)C[N+](C)(C)C
InChIInChI=1S/C14H30N3O2/c1-12(2)14(19)15-8-9-17(6,7)11-13(18)10-16(3,4)5/h13,18H,1,8-11H2,2-7H3/q+1/p+1
InChIKeyMUVFTFXTRNALGN-UHFFFAOYSA-O
XLogP-0.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[3-[dimethyl-[(2-methylprop-2-enoylamino)methyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium;ethene;methane
CID 160738294
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 118388929
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
2-carboxyethyl-dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;2-(trimethylazaniumyl)acetate
CID 22178957
(2-carboxy-2-sulfoethyl)-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 121335182
[3-[4-[2-[[2-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]acetyl]amino]ethyl]piperazine-1,4-diium-1-yl]-2-hydroxypropyl]-trimethylazanium
CID 21026664
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
N-(3,3-difluoropropyl)-2-methylprop-2-enamide
CID 89332583

Frequently Asked Questions

What is the IUPAC name of [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium?
The IUPAC name of [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium (CID 138394841) is [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium.
What is the SMILES notation for [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium?
The canonical SMILES for [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium is C=C(C)C(=O)NCC[N+](C)(C)CC(O)C[N+](C)(C)C.
What is the InChIKey of [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium?
The InChIKey is MUVFTFXTRNALGN-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H30N3O2/c1-12(2)14(19)15-8-9-17(6,7)11-13(18)10-16(3,4)5/h13,18H,1,8-11H2,2-7H3/q+1/p+1.
What are the key properties of [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium?
[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium has a molecular weight of 273.42 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium is sourced from PubChem (CID 138394841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).