2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium

C18H36N5O4+ — CID 170732713

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium
SMILESCN[C@@H](Cn1cc(CC[N+](C)(C)CCOCCOCCOC)nn1)C(C)=O
InChIInChI=1S/C18H36N5O4/c1-16(24)18(19-2)15-22-14-17(20-21-22)6-7-23(3,4)8-9-26-12-13-27-11-10-25-5/h14,18-19H,6-13,15H2,1-5H3/q+1/t18-/m0/s1
InChIKeyUGEIVEUXOMZIFO-SFHVURJKSA-N
MW386.52 g/mol
LogP-0.25
Rot. Bonds16

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium

2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium (PubChem CID 170732713) has the molecular formula C18H36N5O4+ and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium
PubChem CID170732713
Molecular FormulaC18H36N5O4+
Molecular Weight386.52 g/mol
Exact Mass386.28
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium
SMILESCN[C@@H](Cn1cc(CC[N+](C)(C)CCOCCOCCOC)nn1)C(C)=O
InChIInChI=1S/C18H36N5O4/c1-16(24)18(19-2)15-22-14-17(20-21-22)6-7-23(3,4)8-9-26-12-13-27-11-10-25-5/h14,18-19H,6-13,15H2,1-5H3/q+1/t18-/m0/s1
InChIKeyUGEIVEUXOMZIFO-SFHVURJKSA-N
XLogP-0.25
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium (CID 170732713) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium is CN[C@@H](Cn1cc(CC[N+](C)(C)CCOCCOCCOC)nn1)C(C)=O.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium?
The InChIKey is UGEIVEUXOMZIFO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H36N5O4/c1-16(24)18(19-2)15-22-14-17(20-21-22)6-7-23(3,4)8-9-26-12-13-27-11-10-25-5/h14,18-19H,6-13,15H2,1-5H3/q+1/t18-/m0/s1.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium?
2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium has a molecular weight of 386.52 g/mol, XLogP of -0.25, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl-dimethyl-[2-[1-[(2S)-2-(methylamino)-3-oxobutyl]triazol-4-yl]ethyl]azanium is sourced from PubChem (CID 170732713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).