bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium

C12H24NO2+ — CID 87400730

IUPACbis(2-hydroxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(C)O)CC(C)O
InChIInChI=1S/C12H24NO2/c1-5-7-13(8-6-2,9-11(3)14)10-12(4)15/h5-6,11-12,14-15H,1-2,7-10H2,3-4H3/q+1
InChIKeyLGJXKVFGABLHEZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP0.94
Rot. Bonds8

About bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium

bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium (PubChem CID 87400730) has the molecular formula C12H24NO2+ and a molecular weight of 214.33 g/mol. Its IUPAC name is bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium.

Molecular Properties

Compound Namebis(2-hydroxypropyl)-bis(prop-2-enyl)azanium
PubChem CID87400730
Molecular FormulaC12H24NO2+
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Namebis(2-hydroxypropyl)-bis(prop-2-enyl)azanium
SMILESC=CC[N+](CC=C)(CC(C)O)CC(C)O
InChIInChI=1S/C12H24NO2/c1-5-7-13(8-6-2,9-11(3)14)10-12(4)15/h5-6,11-12,14-15H,1-2,7-10H2,3-4H3/q+1
InChIKeyLGJXKVFGABLHEZ-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Allyl-2,2'-iminodiethanol
CID 41439
2-(Diallylamino)ethanol
CID 253018
1,1'-(2-Propen-1-ylimino)bis[2-propanol]
CID 23423740
Allyl dimethyl hydroxyethylammonium chloride
CID 14327232
1-(Diethylamino)-3-buten-2-ol
CID 226115
2-[Methyl(prop-2-enyl)amino]ethanol
CID 3780678
Allyl tris-(2-hydroxyethyl)ammonium chloride
CID 87969591
2-[2-Hydroxyethyl(2-methylprop-2-enyl)amino]ethanol
CID 42881
1-[Methyl(prop-2-enyl)amino]but-3-en-2-ol
CID 130130248
1,1,1-Trifluoro-3-[2-hydroxyethyl(prop-2-enyl)amino]propan-2-ol
CID 104709042
2-[3-Fluoropropyl(prop-2-enyl)amino]ethanol
CID 115721326
3-[2,3-Dihydroxypropyl(prop-2-enyl)amino]propane-1,2-diol;hydrochloride
CID 9794791

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium?
The IUPAC name of bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium (CID 87400730) is bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium.
What is the SMILES notation for bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium?
The canonical SMILES for bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium is C=CC[N+](CC=C)(CC(C)O)CC(C)O.
What is the InChIKey of bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium?
The InChIKey is LGJXKVFGABLHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24NO2/c1-5-7-13(8-6-2,9-11(3)14)10-12(4)15/h5-6,11-12,14-15H,1-2,7-10H2,3-4H3/q+1.
What are the key properties of bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium?
bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium has a molecular weight of 214.33 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropyl)-bis(prop-2-enyl)azanium is sourced from PubChem (CID 87400730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).