N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

C16H32N4O5 — CID 155582503

IUPACN-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCNCCOCCOCCOCCOCCOCCn1cc(C)nn1
InChIInChI=1S/C16H32N4O5/c1-16-15-20(19-18-16)4-6-22-8-10-24-12-14-25-13-11-23-9-7-21-5-3-17-2/h15,17H,3-14H2,1-2H3
InChIKeyDVLBWDHCFXEUFB-UHFFFAOYSA-N
MW360.46 g/mol
LogP-0.11
Rot. Bonds18

About N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine

N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (PubChem CID 155582503) has the molecular formula C16H32N4O5 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
PubChem CID155582503
Molecular FormulaC16H32N4O5
Molecular Weight360.46 g/mol
Exact Mass360.24
IUPAC NameN-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
SMILESCNCCOCCOCCOCCOCCOCCn1cc(C)nn1
InChIInChI=1S/C16H32N4O5/c1-16-15-20(19-18-16)4-6-22-8-10-24-12-14-25-13-11-23-9-7-21-5-3-17-2/h15,17H,3-14H2,1-2H3
InChIKeyDVLBWDHCFXEUFB-UHFFFAOYSA-N
XLogP-0.11
TPSA88.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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;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
ethane;2-[2-[2-[2-[4-(methoxymethyl)triazol-1-yl]ethoxy]ethoxy]ethoxy]-N-methylethanamine
CID 144977278
ethane;6-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethylamino]hexan-1-ol
CID 177359615
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 171587033
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
4-methyl-1-propyltriazole
CID 59256869
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
CID 66215241
2-(4-methyltriazol-1-yl)ethanol
CID 66634666
3-[[(2R)-2,4-diaminobutyl]disulfanyl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 118941004

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The IUPAC name of N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine (CID 155582503) is N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The canonical SMILES for N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is CNCCOCCOCCOCCOCCOCCn1cc(C)nn1.
What is the InChIKey of N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
The InChIKey is DVLBWDHCFXEUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O5/c1-16-15-20(19-18-16)4-6-22-8-10-24-12-14-25-13-11-23-9-7-21-5-3-17-2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine?
N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine has a molecular weight of 360.46 g/mol, XLogP of -0.11, 18 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[2-[2-[2-[2-(4-methyltriazol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 155582503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).