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

C14H27ClN2O2 — CID 87769808

IUPAC2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C=O.[Cl-]
InChIInChI=1S/C10H20N2O.C4H6O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-4(2)3-5;/h1,6-8H2,2-5H3;3H,1H2,2H3;1H
InChIKeyXONUXGDABJSEEL-UHFFFAOYSA-N
MW290.84 g/mol
LogP-1.46
Rot. Bonds6

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

2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride (PubChem CID 87769808) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride.

Molecular Properties

Compound Name2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
PubChem CID87769808
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Name2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C=O.[Cl-]
InChIInChI=1S/C10H20N2O.C4H6O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-4(2)3-5;/h1,6-8H2,2-5H3;3H,1H2,2H3;1H
InChIKeyXONUXGDABJSEEL-UHFFFAOYSA-N
XLogP-1.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 5-1.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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

N-(3-(Dimethylamino)propyl)methacrylamide
CID 78882
Methacrylamidopropyltrimethylammonium chloride
CID 106428
N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium
CID 106429
Prop-2-enamide;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 6453666
Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
1-Propanaminium, N-ethyl-N,N-dimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)amino]-, ethyl sulfate (1:1)
CID 44153225
2-Methacrylamidoethyl-trimethylammonium chloride
CID 9855811
2-Propenamide, N-[3-(diethylamino)propyl]-2-methyl-
CID 11651323
Methacrylamidoacetaldehyde
CID 22616736
Ethenol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87126587
Methacrylamidopropylmethylammonium chloride
CID 129675389
N-[3-(dimethylamino)propyl]-2-methylprop-2-enamide;prop-2-enamide
CID 159721978

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride?
The IUPAC name of 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride (CID 87769808) is 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride.
What is the SMILES notation for 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride?
The canonical SMILES for 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride is C=C(C)C(=O)NCCC[N+](C)(C)C.C=C(C)C=O.[Cl-].
What is the InChIKey of 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride?
The InChIKey is XONUXGDABJSEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C4H6O.ClH/c1-9(2)10(13)11-7-6-8-12(3,4)5;1-4(2)3-5;/h1,6-8H2,2-5H3;3H,1H2,2H3;1H.
What are the key properties of 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride?
2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride has a molecular weight of 290.84 g/mol, XLogP of -1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enal;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride is sourced from PubChem (CID 87769808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).