ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C15H32N4O4 — CID 176965815

IUPACethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC.Cc1cn(CCOCCOCCOCCOCCN)nn1
InChIInChI=1S/C13H26N4O4.C2H6/c1-13-12-17(16-15-13)3-5-19-7-9-21-11-10-20-8-6-18-4-2-14;1-2/h12H,2-11,14H2,1H3;1-2H3
InChIKeyFUQMWEZYZRKQQH-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.64
Rot. Bonds14

About ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 176965815) has the molecular formula C15H32N4O4 and a molecular weight of 332.45 g/mol. Its IUPAC name is ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Nameethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID176965815
Molecular FormulaC15H32N4O4
Molecular Weight332.45 g/mol
Exact Mass332.24
IUPAC Nameethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCC.Cc1cn(CCOCCOCCOCCOCCN)nn1
InChIInChI=1S/C13H26N4O4.C2H6/c1-13-12-17(16-15-13)3-5-19-7-9-21-11-10-20-8-6-18-4-2-14;1-2/h12H,2-11,14H2,1H3;1-2H3
InChIKeyFUQMWEZYZRKQQH-UHFFFAOYSA-N
XLogP0.64
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
ethane;4-methyl-1-[2-[2-(2-sulfanyloxyethoxy)ethoxy]ethyl]triazole
CID 144977266
ethane;4-methyl-1-(2-propoxyethyl)triazole
CID 156729462
2-[2-[2-[bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethanamine;2-[2-[2-[bis[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethanamine
CID 167608217
N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155582503
ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
CID 177359615
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 171587033
1-[[1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 145076720
4-methyl-1-propyltriazole
CID 59256869
2-[2-[2-[2-[4-[[methyl(2-methylsulfonylethyl)amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanamine
CID 138516118
2-(4-methyltriazol-1-yl)ethanol
CID 66634666

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 176965815) is ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CC.Cc1cn(CCOCCOCCOCCOCCN)nn1.
What is the InChIKey of ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is FUQMWEZYZRKQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O4.C2H6/c1-13-12-17(16-15-13)3-5-19-7-9-21-11-10-20-8-6-18-4-2-14;1-2/h12H,2-11,14H2,1H3;1-2H3.
What are the key properties of ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 332.45 g/mol, XLogP of 0.64, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 176965815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).