cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene

C14H30CsN2O2- — CID 163719090

IUPACcesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene
SMILESC=CCC[CH2-].[CH2-]COCCNCCOCCNC.[Cs+]
InChIInChI=1S/C9H21N2O2.C5H9.Cs/c1-3-12-8-5-11-6-9-13-7-4-10-2;1-3-5-4-2;/h10-11H,1,3-9H2,2H3;3H,1-2,4-5H2;/q2*-1;+1
InChIKeyNAXXQFVMXUBFNM-UHFFFAOYSA-N
MW391.31 g/mol
LogP-1.55
Rot. Bonds12

About cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene

cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene (PubChem CID 163719090) has the molecular formula C14H30CsN2O2- and a molecular weight of 391.31 g/mol. Its IUPAC name is cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene.

Molecular Properties

Compound Namecesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene
PubChem CID163719090
Molecular FormulaC14H30CsN2O2-
Molecular Weight391.31 g/mol
Exact Mass391.14
IUPAC Namecesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene
SMILESC=CCC[CH2-].[CH2-]COCCNCCOCCNC.[Cs+]
InChIInChI=1S/C9H21N2O2.C5H9.Cs/c1-3-12-8-5-11-6-9-13-7-4-10-2;1-3-5-4-2;/h10-11H,1,3-9H2,2H3;3H,1-2,4-5H2;/q2*-1;+1
InChIKeyNAXXQFVMXUBFNM-UHFFFAOYSA-N
XLogP-1.55
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene?
The IUPAC name of cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene (CID 163719090) is cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene.
What is the SMILES notation for cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene?
The canonical SMILES for cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene is C=CCC[CH2-].[CH2-]COCCNCCOCCNC.[Cs+].
What is the InChIKey of cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene?
The InChIKey is NAXXQFVMXUBFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O2.C5H9.Cs/c1-3-12-8-5-11-6-9-13-7-4-10-2;1-3-5-4-2;/h10-11H,1,3-9H2,2H3;3H,1-2,4-5H2;/q2*-1;+1.
What are the key properties of cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene?
cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene has a molecular weight of 391.31 g/mol, XLogP of -1.55, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;2-[2-(2-ethoxyethylamino)ethoxy]-N-methylethanamine;pent-1-ene is sourced from PubChem (CID 163719090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).