potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate

C9H20KNO3 — CID 159366457

IUPACpotassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
SMILESCN(C)CCCOCCOCC[O-].[K+]
InChIInChI=1S/C9H20NO3.K/c1-10(2)4-3-6-12-8-9-13-7-5-11;/h3-9H2,1-2H3;/q-1;+1
InChIKeySBBRRYAXQNEXIW-UHFFFAOYSA-N
MW229.36 g/mol
LogP-3.66
Rot. Bonds9

About potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate

potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate (PubChem CID 159366457) has the molecular formula C9H20KNO3 and a molecular weight of 229.36 g/mol. Its IUPAC name is potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate.

Molecular Properties

Compound Namepotassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
PubChem CID159366457
Molecular FormulaC9H20KNO3
Molecular Weight229.36 g/mol
Exact Mass229.11
IUPAC Namepotassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate
SMILESCN(C)CCCOCCOCC[O-].[K+]
InChIInChI=1S/C9H20NO3.K/c1-10(2)4-3-6-12-8-9-13-7-5-11;/h3-9H2,1-2H3;/q-1;+1
InChIKeySBBRRYAXQNEXIW-UHFFFAOYSA-N
XLogP-3.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 5-3.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate 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

2-[2-(dimethylamino)ethoxy]ethanolate
CID 23295259
6-[3-(dimethylamino)propoxy]-N,N-dimethylhexan-1-amine
CID 71335921
5-[10-[5-(dimethylamino)pentoxy]decoxy]-N,N-dimethylpentan-1-amine
CID 154134188
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
3-(2-aminoethoxy)-N,N-dimethylpropan-1-amine
CID 56993773
N-alumanyl-3-[2-(dimethylamino)ethoxy]-N-methylpropan-1-amine
CID 156656265
potassium 2-(2-ethoxyethoxy)ethanolate
CID 23702464
3-[4-[3-(dimethylamino)propoxy]butoxy]-N-methylpropan-1-amine
CID 58806980
pentakis(2-butoxyethanolate);tantalum(5+)
CID 22112128
disodium;8-[2-[2-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octan-1-olate
CID 134883757
disodium;5-[2-[2-(2-oxidoethoxy)ethoxy]ethoxy]pentan-1-olate
CID 134896706
barium(2+);bis(2-butoxyethanolate)
CID 19598526

Frequently Asked Questions

What is the IUPAC name of potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate?
The IUPAC name of potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate (CID 159366457) is potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate.
What is the SMILES notation for potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate?
The canonical SMILES for potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate is CN(C)CCCOCCOCC[O-].[K+].
What is the InChIKey of potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate?
The InChIKey is SBBRRYAXQNEXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO3.K/c1-10(2)4-3-6-12-8-9-13-7-5-11;/h3-9H2,1-2H3;/q-1;+1.
What are the key properties of potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate?
potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate has a molecular weight of 229.36 g/mol, XLogP of -3.66, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[2-[3-(dimethylamino)propoxy]ethoxy]ethanolate is sourced from PubChem (CID 159366457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).