N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine

C13H25N3O3 — CID 103006076

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCOCCOCCOCCNCCc1ccnn1C
InChIInChI=1S/C13H25N3O3/c1-16-13(4-6-15-16)3-5-14-7-8-18-11-12-19-10-9-17-2/h4,6,14H,3,5,7-12H2,1-2H3
InChIKeyGDLXZMDTHFUHRS-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.23
Rot. Bonds12

About N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 103006076) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID103006076
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCOCCOCCOCCNCCc1ccnn1C
InChIInChI=1S/C13H25N3O3/c1-16-13(4-6-15-16)3-5-14-7-8-18-11-12-19-10-9-17-2/h4,6,14H,3,5,7-12H2,1-2H3
InChIKeyGDLXZMDTHFUHRS-UHFFFAOYSA-N
XLogP0.23
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
2-(2-methylpyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 103001408
N-[2-[2-(2-methylpyrazol-3-yl)ethoxy]ethyl]propan-1-amine
CID 103004060
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
2-[2-(2-butoxyethoxy)ethoxy]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 104562263
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106844750
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103268835
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
N',N'-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propane-1,3-diamine
CID 103000722
6-[2-(2-methylpyrazol-3-yl)ethylamino]hexan-1-ol
CID 107703692

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 103006076) is N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine is COCCOCCOCCNCCc1ccnn1C.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is GDLXZMDTHFUHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-16-13(4-6-15-16)3-5-14-7-8-18-11-12-19-10-9-17-2/h4,6,14H,3,5,7-12H2,1-2H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 271.36 g/mol, XLogP of 0.23, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 103006076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).