2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride

C8H18ClNO — CID 71328243

IUPAC2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride
SMILESC=C(C)C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-8(2)7-9(3,4)5-6-10;/h10H,1,5-7H2,2-4H3;1H/q+1;/p-1
InChIKeyHKFDCPLSHRTXMW-UHFFFAOYSA-M
MW179.69 g/mol
LogP-2.36
Rot. Bonds4

About 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride

2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride (PubChem CID 71328243) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride
PubChem CID71328243
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride
SMILESC=C(C)C[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C8H18NO.ClH/c1-8(2)7-9(3,4)5-6-10;/h10H,1,5-7H2,2-4H3;1H/q+1;/p-1
InChIKeyHKFDCPLSHRTXMW-UHFFFAOYSA-M
XLogP-2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 5-2.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
2-[Methyl(3-methylbut-2-en-1-yl)amino]ethan-1-ol
CID 60683958
2-[2-Hydroxyethyl(2-methylprop-2-enyl)amino]ethanol
CID 42881
4-Hydroxybut-2-ynyl-(2-methylprop-2-enyl)-dipropylazanium
CID 154711066
Diethyl-(4-hydroxybut-2-ynyl)-(2-methylprop-2-enyl)azanium
CID 154716950
Diethyl-(4-hydroxybut-2-ynyl)-(2-methylprop-2-enyl)azanium
CID 154723297
4-Hydroxybut-2-ynyl-(2-methylprop-2-enyl)-dipropylazanium
CID 154723315
2-[2-Methylprop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 103856784
2-[2,2-Difluoroethyl(2-methylprop-2-enyl)amino]ethanol
CID 107485262
2-[Bis(3-methylbut-2-enyl)amino]ethanol
CID 10397813
2-Hydroxyethyl-methyl-bis(prop-2-enyl)azanium
CID 13778202
2-[2-Hydroxyethyl(3-methylbut-2-enyl)amino]ethanol
CID 18416769

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride (CID 71328243) is 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride is C=C(C)C[N+](C)(C)CCO.[Cl-].
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride?
The InChIKey is HKFDCPLSHRTXMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H18NO.ClH/c1-8(2)7-9(3,4)5-6-10;/h10H,1,5-7H2,2-4H3;1H/q+1;/p-1.
What are the key properties of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride?
2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride has a molecular weight of 179.69 g/mol, XLogP of -2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium chloride is sourced from PubChem (CID 71328243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).