2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine

C10H20N4O3 — CID 152587081

IUPAC2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1ccnn1
InChIInChI=1S/C10H20N4O3/c11-1-5-15-7-9-17-10-8-16-6-4-14-3-2-12-13-14/h2-3H,1,4-11H2
InChIKeyYURNLLQGMKGWEN-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.71
Rot. Bonds11

About 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine

2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 152587081) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID152587081
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOCCn1ccnn1
InChIInChI=1S/C10H20N4O3/c11-1-5-15-7-9-17-10-8-16-6-4-14-3-2-12-13-14/h2-3H,1,4-11H2
InChIKeyYURNLLQGMKGWEN-UHFFFAOYSA-N
XLogP-0.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(triazol-1-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104444723
2-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 104444740
3-(triazol-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 104445113
1-(2-Ethoxyethyl)triazole
CID 12538950
1-[2-(2-Methoxyethoxy)ethyl]triazole
CID 58803592
2-[2-(Triazol-1-yl)ethoxy]ethanol
CID 68023784
2-(Triazol-1-yl)morpholine
CID 69572380
2-[2-(1H-1,2,3-Triazol-1-yl)ethoxy]ethan-1-amine
CID 86262487
4,5-Dideuterio-1-[2-(2-methoxyethoxy)ethyl]triazole
CID 118951426
1-[2-(2-Propan-2-yloxyethoxy)ethyl]triazole
CID 132176833
1-[2-(2-Azidoethoxy)ethyl]triazole
CID 138714491
2-(Triazol-1-ylmethyl)-1,3-oxazolidine
CID 139972157

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine (CID 152587081) is 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine is NCCOCCOCCOCCn1ccnn1.
What is the InChIKey of 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is YURNLLQGMKGWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c11-1-5-15-7-9-17-10-8-16-6-4-14-3-2-12-13-14/h2-3H,1,4-11H2.
What are the key properties of 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine?
2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 244.29 g/mol, XLogP of -0.71, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 152587081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).