N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine

C11H22N4O3 — CID 104562866

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
SMILESCOCCOCCOCCNCCn1ccnn1
InChIInChI=1S/C11H22N4O3/c1-16-8-9-18-11-10-17-7-4-12-2-5-15-6-3-13-14-15/h3,6,12H,2,4-5,7-11H2,1H3
InChIKeyQKKUBNHFXDUABG-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.45
Rot. Bonds12

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

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine (PubChem CID 104562866) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
PubChem CID104562866
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine
SMILESCOCCOCCOCCNCCn1ccnn1
InChIInChI=1S/C11H22N4O3/c1-16-8-9-18-11-10-17-7-4-12-2-5-15-6-3-13-14-15/h3,6,12H,2,4-5,7-11H2,1H3
InChIKeyQKKUBNHFXDUABG-UHFFFAOYSA-N
XLogP-0.45
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.45
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-(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
2-[2-[2-[2-(Triazol-1-yl)ethoxy]ethoxy]ethoxy]ethanamine
CID 152587081

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine (CID 104562866) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine is COCCOCCOCCNCCn1ccnn1.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
The InChIKey is QKKUBNHFXDUABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-16-8-9-18-11-10-17-7-4-12-2-5-15-6-3-13-14-15/h3,6,12H,2,4-5,7-11H2,1H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine has a molecular weight of 258.32 g/mol, XLogP of -0.45, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(triazol-1-yl)ethanamine is sourced from PubChem (CID 104562866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).