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

C9H24ClN2O+ — CID 161490642

IUPACmethane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
SMILESC.C.C=CC(=O)NC[N+](C)(C)C.Cl
InChIInChI=1S/C7H14N2O.2CH4.ClH/c1-5-7(10)8-6-9(2,3)4;;;/h5H,1,6H2,2-4H3;2*1H4;1H/p+1
InChIKeyVILBCOFWJOMJDA-UHFFFAOYSA-O
MW211.76 g/mol
LogP1.65
Rot. Bonds3

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

methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride (PubChem CID 161490642) has the molecular formula C9H24ClN2O+ and a molecular weight of 211.76 g/mol. Its IUPAC name is methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride.

Molecular Properties

Compound Namemethane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
PubChem CID161490642
Molecular FormulaC9H24ClN2O+
Molecular Weight211.76 g/mol
Exact Mass211.16
IUPAC Namemethane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride
SMILESC.C.C=CC(=O)NC[N+](C)(C)C.Cl
InChIInChI=1S/C7H14N2O.2CH4.ClH/c1-5-7(10)8-6-9(2,3)4;;;/h5H,1,6H2,2-4H3;2*1H4;1H/p+1
InChIKeyVILBCOFWJOMJDA-UHFFFAOYSA-O
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.76
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

triethyl-[(prop-2-enoylamino)methyl]azanium
CID 87449059
triethyl-[(prop-2-enoylamino)methyl]azanium chloride
CID 87449058
chloromethane;dimethyl-[(prop-2-enoylamino)methyl]-propylazanium
CID 174765196
trimethyl-[[[3-oxo-3-[(trimethylazaniumyl)methylamino]propanoyl]amino]methyl]azanium
CID 18730446
CID 173161904
CID 173161904
dimethyl-(2-methylprop-2-enoyloxy)-[(prop-2-enoylamino)methyl]azanium
CID 139672556
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
trimethyl-[2-(prop-2-enoylamino)ethylamino]azanium
CID 174542522
methyl-tris(prop-2-enyl)azanium;N-[(prop-2-enoylamino)methyl]prop-2-enamide;chloride
CID 23434977
ethane;N-prop-2-enylprop-2-enamide
CID 142535548
N-ethylprop-2-enamide;N-methylmethanamine
CID 22381553
N-(sulfanylmethyl)prop-2-enamide
CID 21197466

Frequently Asked Questions

What is the IUPAC name of methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride?
The IUPAC name of methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride (CID 161490642) is methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride.
What is the SMILES notation for methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride?
The canonical SMILES for methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride is C.C.C=CC(=O)NC[N+](C)(C)C.Cl.
What is the InChIKey of methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride?
The InChIKey is VILBCOFWJOMJDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O.2CH4.ClH/c1-5-7(10)8-6-9(2,3)4;;;/h5H,1,6H2,2-4H3;2*1H4;1H/p+1.
What are the key properties of methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride?
methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride has a molecular weight of 211.76 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;trimethyl-[(prop-2-enoylamino)methyl]azanium;hydrochloride is sourced from PubChem (CID 161490642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).