2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen

C21H44N4O5 — CID 155706804

IUPAC2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen
SMILESCCCC(CC)c1cn(CCOCCOCCOCCOCCOCCNC)nn1.[H][H]
InChIInChI=1S/C21H42N4O5.H2/c1-4-6-20(5-2)21-19-25(24-23-21)8-10-27-12-14-29-16-18-30-17-15-28-13-11-26-9-7-22-3;/h19-20,22H,4-18H2,1-3H3;1H
InChIKeyLMEWMDVILRVEGO-UHFFFAOYSA-N
MW432.61 g/mol
LogP2.12
Rot. Bonds22

About 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen

2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen (PubChem CID 155706804) has the molecular formula C21H44N4O5 and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen
PubChem CID155706804
Molecular FormulaC21H44N4O5
Molecular Weight432.61 g/mol
Exact Mass432.33
IUPAC Name2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen
SMILESCCCC(CC)c1cn(CCOCCOCCOCCOCCOCCNC)nn1.[H][H]
InChIInChI=1S/C21H42N4O5.H2/c1-4-6-20(5-2)21-19-25(24-23-21)8-10-27-12-14-29-16-18-30-17-15-28-13-11-26-9-7-22-3;/h19-20,22H,4-18H2,1-3H3;1H
InChIKeyLMEWMDVILRVEGO-UHFFFAOYSA-N
XLogP2.12
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen 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 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen?
The IUPAC name of 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen (CID 155706804) is 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen is CCCC(CC)c1cn(CCOCCOCCOCCOCCOCCNC)nn1.[H][H].
What is the InChIKey of 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen?
The InChIKey is LMEWMDVILRVEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O5.H2/c1-4-6-20(5-2)21-19-25(24-23-21)8-10-27-12-14-29-16-18-30-17-15-28-13-11-26-9-7-22-3;/h19-20,22H,4-18H2,1-3H3;1H.
What are the key properties of 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen?
2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen has a molecular weight of 432.61 g/mol, XLogP of 2.12, 22 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine;molecular hydrogen is sourced from PubChem (CID 155706804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).