trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride

C10H23ClN3O+ — CID 174796027

IUPACtrimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride
SMILESC=CC(=O)NC(C)(C)CN[N+](C)(C)C.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-7-9(14)12-10(2,3)8-11-13(4,5)6;/h7,11H,1,8H2,2-6H3;1H/p+1
InChIKeyHOSBBQVOHRTNRF-UHFFFAOYSA-O
MW236.77 g/mol
LogP0.70
Rot. Bonds5

About trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride

trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride (PubChem CID 174796027) has the molecular formula C10H23ClN3O+ and a molecular weight of 236.77 g/mol. Its IUPAC name is trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride.

Molecular Properties

Compound Nametrimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride
PubChem CID174796027
Molecular FormulaC10H23ClN3O+
Molecular Weight236.77 g/mol
Exact Mass236.15
IUPAC Nametrimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride
SMILESC=CC(=O)NC(C)(C)CN[N+](C)(C)C.Cl
InChIInChI=1S/C10H21N3O.ClH/c1-7-9(14)12-10(2,3)8-11-13(4,5)6;/h7,11H,1,8H2,2-6H3;1H/p+1
InChIKeyHOSBBQVOHRTNRF-UHFFFAOYSA-O
XLogP0.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.77
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(2-Acrylamido-2-methylpropyl)trimethylammonium chloride
CID 11775668
(2-Acrylamido-2-methylpropyl)dimethylammonium chloride
CID 22228771
N-[1,1-dimethyl-2-dimethylaminoethyl] acrylamide hydrochloride
CID 129762069
N-[1-(dimethylamino)-2-methylpropan-2-yl]prop-2-enamide
CID 9812879
Trimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]azanium
CID 9942328
N-[2-(tert-butylamino)ethyl]prop-2-enamide
CID 18325619
N-[2-[tert-butyl-[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide
CID 58422221
N-(2-aminoethyl)-N-tert-butylprop-2-enamide
CID 88056217
Dimethyl-[2-methyl-2-(prop-2-enoylamino)propyl]-propylazanium
CID 88297896
N'-[2-(diethylamino)ethyl]prop-2-enehydrazide
CID 150238955
N-[2-(tert-butylamino)ethyl]-N-methylprop-2-enamide
CID 150371238
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
CID 151497719

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride?
The IUPAC name of trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride (CID 174796027) is trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride.
What is the SMILES notation for trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride?
The canonical SMILES for trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride is C=CC(=O)NC(C)(C)CN[N+](C)(C)C.Cl.
What is the InChIKey of trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride?
The InChIKey is HOSBBQVOHRTNRF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H21N3O.ClH/c1-7-9(14)12-10(2,3)8-11-13(4,5)6;/h7,11H,1,8H2,2-6H3;1H/p+1.
What are the key properties of trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride?
trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride has a molecular weight of 236.77 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-methyl-2-(prop-2-enoylamino)propyl]amino]azanium;hydrochloride is sourced from PubChem (CID 174796027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).