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

C21H42N4O5 — CID 155706805

IUPAC2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCCCC(CC)c1cn(CCOCCOCCOCCOCCOCCNC)nn1
InChIInChI=1S/C21H42N4O5/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
InChIKeyWIVKUORIWWQIIR-UHFFFAOYSA-N
MW430.59 g/mol
LogP1.87
Rot. Bonds22

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

2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 155706805) has the molecular formula C21H42N4O5 and a molecular weight of 430.59 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 Properties

Compound Name2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
PubChem CID155706805
Molecular FormulaC21H42N4O5
Molecular Weight430.59 g/mol
Exact Mass430.32
IUPAC Name2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCCCC(CC)c1cn(CCOCCOCCOCCOCCOCCNC)nn1
InChIInChI=1S/C21H42N4O5/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
InChIKeyWIVKUORIWWQIIR-UHFFFAOYSA-N
XLogP1.87
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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?
The IUPAC name of 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine (CID 155706805) is 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine.
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?
The canonical SMILES for 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine is CCCC(CC)c1cn(CCOCCOCCOCCOCCOCCNC)nn1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The InChIKey is WIVKUORIWWQIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N4O5/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.
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?
2-[2-[2-[2-[2-[2-(4-hexan-3-yltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 430.59 g/mol, XLogP of 1.87, 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 is sourced from PubChem (CID 155706805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).