trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide

C9H20IN2O+ — CID 118388931

IUPACtrimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
SMILESC=C(C)C(=O)NCC[N+](C)(C)C.I
InChIInChI=1S/C9H18N2O.HI/c1-8(2)9(12)10-6-7-11(3,4)5;/h1,6-7H2,2-5H3;1H/p+1
InChIKeyZBCHIAJADHDKDH-UHFFFAOYSA-O
MW299.18 g/mol
LogP1.00
Rot. Bonds4

About trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide

trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide (PubChem CID 118388931) has the molecular formula C9H20IN2O+ and a molecular weight of 299.18 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
PubChem CID118388931
Molecular FormulaC9H20IN2O+
Molecular Weight299.18 g/mol
Exact Mass299.06
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
SMILESC=C(C)C(=O)NCC[N+](C)(C)C.I
InChIInChI=1S/C9H18N2O.HI/c1-8(2)9(12)10-6-7-11(3,4)5;/h1,6-7H2,2-5H3;1H/p+1
InChIKeyZBCHIAJADHDKDH-UHFFFAOYSA-O
XLogP1.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 118388929
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 18000449
[3-[dimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 138394841
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
carboxymethyl-ethyl-methyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 144752674
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
bis(triethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium);sulfate
CID 139839973

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide (CID 118388931) is trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide is C=C(C)C(=O)NCC[N+](C)(C)C.I.
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide?
The InChIKey is ZBCHIAJADHDKDH-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H18N2O.HI/c1-8(2)9(12)10-6-7-11(3,4)5;/h1,6-7H2,2-5H3;1H/p+1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide?
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide has a molecular weight of 299.18 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide is sourced from PubChem (CID 118388931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).