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

C10H21ClN2O — CID 177404233

IUPACtrimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
InChIKeyUZNHKBFIBYXPDV-UHFFFAOYSA-N
MW220.74 g/mol
LogP-2.22
Rot. Bonds5

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

trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride (PubChem CID 177404233) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
PubChem CID177404233
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Nametrimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-]
InChIInChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H
InChIKeyUZNHKBFIBYXPDV-UHFFFAOYSA-N
XLogP-2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;hydroiodide
CID 118388931
N,N-dimethyl-3-(2-methylprop-2-enoylamino)propan-1-amine oxide
CID 87182014
3-trimethoxysilylpropane-1-thiol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 169430479
carboxymethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 3019214
azane;methoxysulfonyl 2-methylprop-2-enoate;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 174782093
N-[3-(dimethylamino)propyl]prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 175755238
dimethyl-[3-(2-methylprop-2-enoylamino)propyl]-octylazanium
CID 87318996
hydrogen sulfate;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium
CID 118388929
2-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]ethanesulfonate
CID 118856655
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
12-[dimethyl-(6-methyl-5-oxohept-6-enyl)azaniumyl]dodecyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium dibromide
CID 167613154

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The IUPAC name of trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride (CID 177404233) is trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride.
What is the SMILES notation for trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The canonical SMILES for trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride is C=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-].
What is the InChIKey of trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The InChIKey is UZNHKBFIBYXPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;/h1,6-8H2,2-5H3;1H.
What are the key properties of trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride has a molecular weight of 220.74 g/mol, XLogP of -2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride is sourced from PubChem (CID 177404233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).