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

C10H25Cl2N3O — CID 172822274

IUPACazanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-].[Cl-].[NH4+]
InChIInChI=1S/C10H20N2O.2ClH.H3N/c1-9(2)10(13)11-7-6-8-12(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3
InChIKeyUJRUFBDNYBOIOH-UHFFFAOYSA-N
MW274.24 g/mol
LogP-4.84
Rot. Bonds5

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

azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride (PubChem CID 172822274) has the molecular formula C10H25Cl2N3O and a molecular weight of 274.24 g/mol. Its IUPAC name is azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride.

Molecular Properties

Compound Nameazanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
PubChem CID172822274
Molecular FormulaC10H25Cl2N3O
Molecular Weight274.24 g/mol
Exact Mass273.14
IUPAC Nameazanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-].[Cl-].[NH4+]
InChIInChI=1S/C10H20N2O.2ClH.H3N/c1-9(2)10(13)11-7-6-8-12(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3
InChIKeyUJRUFBDNYBOIOH-UHFFFAOYSA-N
XLogP-4.84
TPSA65.60 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 5-4.84
H-Bond Donors ≤ 52
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'}

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Related Compounds

trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
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
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
methane;trimethyl-[2-(2-methylprop-2-enoylamino)ethyl]azanium;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;dibromide;dichloride
CID 159318487
2-[dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azaniumyl]ethanesulfonate
CID 118856655

Frequently Asked Questions

What is the IUPAC name of azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride?
The IUPAC name of azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride (CID 172822274) is azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride.
What is the SMILES notation for azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride?
The canonical SMILES for azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride is C=C(C)C(=O)NCCC[N+](C)(C)C.[Cl-].[Cl-].[NH4+].
What is the InChIKey of azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride?
The InChIKey is UJRUFBDNYBOIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH.H3N/c1-9(2)10(13)11-7-6-8-12(3,4)5;;;/h1,6-8H2,2-5H3;2*1H;1H3.
What are the key properties of azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride?
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride has a molecular weight of 274.24 g/mol, XLogP of -4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride is sourced from PubChem (CID 172822274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).