N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine

C15H30N4O3 — CID 167242998

IUPACN-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine
SMILESCCNCCOCCOCCn1nncc1CCOC(C)C
InChIInChI=1S/C15H30N4O3/c1-4-16-6-9-20-11-12-21-10-7-19-15(13-17-18-19)5-8-22-14(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyGXIHTXDLNNTOAI-UHFFFAOYSA-N
MW314.43 g/mol
LogP0.89
Rot. Bonds14

About N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine

N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine (PubChem CID 167242998) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine
PubChem CID167242998
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC NameN-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine
SMILESCCNCCOCCOCCn1nncc1CCOC(C)C
InChIInChI=1S/C15H30N4O3/c1-4-16-6-9-20-11-12-21-10-7-19-15(13-17-18-19)5-8-22-14(2)3/h13-14,16H,4-12H2,1-3H3
InChIKeyGXIHTXDLNNTOAI-UHFFFAOYSA-N
XLogP0.89
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 50.89
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

N-[2-[2-[2-[5-[2-(methylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethyl]propan-1-amine
CID 156861020
[2-[2-[2-[5-[2-(propan-2-ylamino)ethyl]triazol-1-yl]ethoxy]ethoxy]ethylamino]methanethiol
CID 170062164
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
N-(2-methoxyethyl)-2-(3-propyltriazol-4-yl)ethanamine
CID 114690126
N-[2-[2-[2-[2-[5-[(1-methylidene-1-oxo-1,4-thiazinan-4-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
CID 161194734
2-methyl-N-[3-(3-propyltriazol-4-yl)propyl]propan-1-amine
CID 114690351
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
1,5-bis(3-methylbutyl)triazole
CID 122630242
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726
N-ethyl-2-[2-(3-methylbutoxy)ethoxy]ethanamine
CID 62336857
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine (CID 167242998) is N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine is CCNCCOCCOCCn1nncc1CCOC(C)C.
What is the InChIKey of N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine?
The InChIKey is GXIHTXDLNNTOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-4-16-6-9-20-11-12-21-10-7-19-15(13-17-18-19)5-8-22-14(2)3/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine?
N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine has a molecular weight of 314.43 g/mol, XLogP of 0.89, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-[2-[5-(2-propan-2-yloxyethyl)triazol-1-yl]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 167242998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).