ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine

C17H38N4O4 — CID 144977278

IUPACethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCC.CC.CNCCOCCOCCOCCn1cc(COC)nn1
InChIInChI=1S/C13H26N4O4.2C2H6/c1-14-3-5-19-7-9-21-10-8-20-6-4-17-11-13(12-18-2)15-16-17;2*1-2/h11,14H,3-10,12H2,1-2H3;2*1-2H3
InChIKeyXRJFBAYUOWXFDR-UHFFFAOYSA-N
MW362.52 g/mol
LogP1.75
Rot. Bonds14

About ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine

ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine (PubChem CID 144977278) has the molecular formula C17H38N4O4 and a molecular weight of 362.52 g/mol. Its IUPAC name is ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine.

Molecular Properties

Compound Nameethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine
PubChem CID144977278
Molecular FormulaC17H38N4O4
Molecular Weight362.52 g/mol
Exact Mass362.29
IUPAC Nameethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine
SMILESCC.CC.CNCCOCCOCCOCCn1cc(COC)nn1
InChIInChI=1S/C13H26N4O4.2C2H6/c1-14-3-5-19-7-9-21-10-8-20-6-4-17-11-13(12-18-2)15-16-17;2*1-2/h11,14H,3-10,12H2,1-2H3;2*1-2H3
InChIKeyXRJFBAYUOWXFDR-UHFFFAOYSA-N
XLogP1.75
TPSA79.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 51.75
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

N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155582503
N-[[1-[2-[2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]cyclohexanecarboxamide
CID 156509217
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
CID 144977277
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1-[2-[2-[(Z)-prop-1-enyl]peroxyethoxy]ethyl]triazole
CID 58559424
ethane;1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methyltriazole
CID 156729649
N-[2-[2-[2-(4-ethyltriazol-1-yl)ethoxy]ethoxy]ethyl]acetamide
CID 156664422
[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methanamine
CID 63684971
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-[[1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)triazol-4-yl]methoxymethyl]triazole
CID 132582699
N-[[1-[2-[2-(2-methylpropoxy)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 106449883
N-[[1-[2-[2-(diethylamino)ethoxy]ethyl]triazol-4-yl]methyl]propan-1-amine
CID 62458984
1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The IUPAC name of ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine (CID 144977278) is ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine.
What is the SMILES notation for ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The canonical SMILES for ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine is CC.CC.CNCCOCCOCCOCCn1cc(COC)nn1.
What is the InChIKey of ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
The InChIKey is XRJFBAYUOWXFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O4.2C2H6/c1-14-3-5-19-7-9-21-10-8-20-6-4-17-11-13(12-18-2)15-16-17;2*1-2/h11,14H,3-10,12H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine?
ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine has a molecular weight of 362.52 g/mol, XLogP of 1.75, 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-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine is sourced from PubChem (CID 144977278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).