diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride

C9H20ClNO — CID 175037929

IUPACdiethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride
SMILESC=CC[N+](CC)(CC)C(C)O.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-5-8-10(6-2,7-3)9(4)11;/h5,9,11H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyZTCZIPQYGDWURZ-UHFFFAOYSA-M
MW193.72 g/mol
LogP-1.63
Rot. Bonds5

About diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride

diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride (PubChem CID 175037929) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride.

Molecular Properties

Compound Namediethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride
PubChem CID175037929
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Namediethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride
SMILESC=CC[N+](CC)(CC)C(C)O.[Cl-]
InChIInChI=1S/C9H20NO.ClH/c1-5-8-10(6-2,7-3)9(4)11;/h5,9,11H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyZTCZIPQYGDWURZ-UHFFFAOYSA-M
XLogP-1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-1.63
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-hydroxyethyl-dimethyl-prop-2-enylazanium chloride
CID 21429944
diethyl-hexyl-(1-hydroxyethyl)azanium chloride
CID 174515808
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
1-hydroxypropyl-methyl-bis(prop-2-enyl)azanium
CID 174856591
bis(2-ethoxy-1-hydroxyethyl)-ethyl-prop-2-enylazanium;polane;chloride
CID 173094386
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
diethyl-prop-2-enyl-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884693
but-1-ene;ethyl-dimethyl-prop-2-enylazanium;chloride
CID 174921131
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
CID 175142733
triethyl(penta-1,4-dien-3-yl)azanium
CID 22956718
(1-chloro-3-hydroxybutyl)-methyl-bis(prop-2-enyl)azanium chloride
CID 174720214

Frequently Asked Questions

What is the IUPAC name of diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride?
The IUPAC name of diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride (CID 175037929) is diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride.
What is the SMILES notation for diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride?
The canonical SMILES for diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride is C=CC[N+](CC)(CC)C(C)O.[Cl-].
What is the InChIKey of diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride?
The InChIKey is ZTCZIPQYGDWURZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20NO.ClH/c1-5-8-10(6-2,7-3)9(4)11;/h5,9,11H,1,6-8H2,2-4H3;1H/q+1;/p-1.
What are the key properties of diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride?
diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride has a molecular weight of 193.72 g/mol, XLogP of -1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(1-hydroxyethyl)-prop-2-enylazanium chloride is sourced from PubChem (CID 175037929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).