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

C11H23ClN2O2 — CID 87258458

IUPAC2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C11H22N2O2.ClH/c1-10(2)11(15)12-6-5-7-13(3,4)8-9-14;/h14H,1,5-9H2,2-4H3;1H
InChIKeyUGHDGJHFWYZFKB-UHFFFAOYSA-N
MW250.77 g/mol
LogP-2.86
Rot. Bonds7

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

2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride (PubChem CID 87258458) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
PubChem CID87258458
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
SMILESC=C(C)C(=O)NCCC[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C11H22N2O2.ClH/c1-10(2)11(15)12-6-5-7-13(3,4)8-9-14;/h14H,1,5-9H2,2-4H3;1H
InChIKeyUGHDGJHFWYZFKB-UHFFFAOYSA-N
XLogP-2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 5-2.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

Methacrylamidopropyltrimethylammonium chloride
CID 106428
N-(2-hydroxypropyl)methacrylamide
CID 38622
N-(2-Hydroxyethyl)methacrylamide
CID 10197699
1-Propanaminium, 3-chloro-2-hydroxy-N,N-dimethyl-N-(3-((2-methyl-1-oxo-2-propen-1-yl)amino)propyl)-, chloride (1:1)
CID 116860
N,N'-Bis(2-hydroxyethyl)-N'-acryloyl-1,3-diaminopropane
CID 131338
N-(1-Hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 12051523
N,N'-(2-hydroxypropane-1,3-diyl)bis(2-methylprop-2-enamide)
CID 20205156
Trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
1-Propanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-3-((2-methyl-1-oxo-2-propen-1-yl)amino)-, acetate (1:1)
CID 172680
Bis-quaternary methacrylamide monomer
CID 138394840
Ethenol;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;chloride
CID 87126587
2-Hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
CID 172681

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The IUPAC name of 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride (CID 87258458) is 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The canonical SMILES for 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride is C=C(C)C(=O)NCCC[N+](C)(C)CCO.[Cl-].
What is the InChIKey of 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
The InChIKey is UGHDGJHFWYZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-10(2)11(15)12-6-5-7-13(3,4)8-9-14;/h14H,1,5-9H2,2-4H3;1H.
What are the key properties of 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride?
2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride has a molecular weight of 250.77 g/mol, XLogP of -2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride is sourced from PubChem (CID 87258458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).