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

C8H18NO+ — CID 15029180

IUPAC2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium
SMILESC=C(C)C[N+](C)(C)CCO
InChIInChI=1S/C8H18NO/c1-8(2)7-9(3,4)5-6-10/h10H,1,5-7H2,2-4H3/q+1
InChIKeyTWHYGIVQLRUJAI-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.63
Rot. Bonds4

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

2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium (PubChem CID 15029180) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium
PubChem CID15029180
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium
SMILESC=C(C)C[N+](C)(C)CCO
InChIInChI=1S/C8H18NO/c1-8(2)7-9(3,4)5-6-10/h10H,1,5-7H2,2-4H3/q+1
InChIKeyTWHYGIVQLRUJAI-UHFFFAOYSA-N
XLogP0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.63
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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium (CID 15029180) is 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium is C=C(C)C[N+](C)(C)CCO.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium?
The InChIKey is TWHYGIVQLRUJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-8(2)7-9(3,4)5-6-10/h10H,1,5-7H2,2-4H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium?
2-hydroxyethyl-dimethyl-(2-methylprop-2-enyl)azanium has a molecular weight of 144.24 g/mol, XLogP of 0.63, 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 is sourced from PubChem (CID 15029180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).