ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol

C17H36N4O3 — CID 177359615

IUPACethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
SMILESCC.Cc1cn(CCOCCOCCNCCCCCCO)nn1
InChIInChI=1S/C15H30N4O3.C2H6/c1-15-14-19(18-17-15)8-11-22-13-12-21-10-7-16-6-4-2-3-5-9-20;1-2/h14,16,20H,2-13H2,1H3;1-2H3
InChIKeyMVTGYIBICOFQMN-UHFFFAOYSA-N
MW344.50 g/mol
LogP1.79
Rot. Bonds15

About ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol

ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol (PubChem CID 177359615) has the molecular formula C17H36N4O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol.

Molecular Properties

Compound Nameethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
PubChem CID177359615
Molecular FormulaC17H36N4O3
Molecular Weight344.50 g/mol
Exact Mass344.28
IUPAC Nameethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
SMILESCC.Cc1cn(CCOCCOCCNCCCCCCO)nn1
InChIInChI=1S/C15H30N4O3.C2H6/c1-15-14-19(18-17-15)8-11-22-13-12-21-10-7-16-6-4-2-3-5-9-20;1-2/h14,16,20H,2-13H2,1H3;1-2H3
InChIKeyMVTGYIBICOFQMN-UHFFFAOYSA-N
XLogP1.79
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155582503
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
ethane;2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176965815
ethane;4-methyl-1-[2-[2-(2-sulfanyloxyethoxy)ethoxy]ethyl]triazole
CID 144977266
ethane;4-methyl-1-(2-propoxyethyl)triazole
CID 156729462
2-(4-methyltriazol-1-yl)ethanol
CID 66634666
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
6-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]hexan-1-ol
CID 114008894
2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane
CID 171646885
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 171587033
methyl-[5-[2-(4-methyltriazol-1-yl)ethoxy]-2-oxopentyl]phosphinic acid
CID 161061411
1-[2-[4-(2-methoxyethoxy)butylamino]ethyl]triazole-4-carboxylic acid
CID 103265893

Frequently Asked Questions

What is the IUPAC name of ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol?
The IUPAC name of ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol (CID 177359615) is ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol.
What is the SMILES notation for ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol?
The canonical SMILES for ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol is CC.Cc1cn(CCOCCOCCNCCCCCCO)nn1.
What is the InChIKey of ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol?
The InChIKey is MVTGYIBICOFQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3.C2H6/c1-15-14-19(18-17-15)8-11-22-13-12-21-10-7-16-6-4-2-3-5-9-20;1-2/h14,16,20H,2-13H2,1H3;1-2H3.
What are the key properties of ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol?
ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol has a molecular weight of 344.50 g/mol, XLogP of 1.79, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol is sourced from PubChem (CID 177359615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).