N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine

C11H19N3O — CID 79597918

IUPACN-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
SMILESCOCCNCCC=Cc1ccnn1C
InChIInChI=1S/C11H19N3O/c1-14-11(6-8-13-14)5-3-4-7-12-9-10-15-2/h3,5-6,8,12H,4,7,9-10H2,1-2H3
InChIKeyOOGBTBHWTXFIHA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.06
Rot. Bonds7

About N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine

N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine (PubChem CID 79597918) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
PubChem CID79597918
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine
SMILESCOCCNCCC=Cc1ccnn1C
InChIInChI=1S/C11H19N3O/c1-14-11(6-8-13-14)5-3-4-7-12-9-10-15-2/h3,5-6,8,12H,4,7,9-10H2,1-2H3
InChIKeyOOGBTBHWTXFIHA-UHFFFAOYSA-N
XLogP1.06
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpyrazol-3-yl)but-3-ene-1-thiol
CID 170479344
(E)-4-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-(2-methoxyethyl)but-3-en-1-amine
CID 114666292
(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79675864
N-(2-methoxyethyl)-5-pyridin-2-ylpent-3-en-1-amine
CID 79598410
4-(3,5-dimethylphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79597907
N-(2-methoxyethyl)-5-(1-methylimidazol-2-yl)pent-3-en-1-amine
CID 79762322
N-[2-(2-methoxyethylamino)ethyl]-2-methylpyrazole-3-sulfonamide
CID 113444011
4-(2-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598671
N-(2-methoxyethyl)-5-(1-propan-2-ylpyrazol-3-yl)pent-3-en-1-amine
CID 79598548
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
(E)-4-(3-bromo-2,4-dimethoxyphenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 103524115
4-(3-chlorophenyl)-N-(2-methoxyethyl)but-3-en-1-amine
CID 79598026

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine (CID 79597918) is N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine is COCCNCCC=Cc1ccnn1C.
What is the InChIKey of N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine?
The InChIKey is OOGBTBHWTXFIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-11(6-8-13-14)5-3-4-7-12-9-10-15-2/h3,5-6,8,12H,4,7,9-10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine?
N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine has a molecular weight of 209.29 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(2-methylpyrazol-3-yl)but-3-en-1-amine is sourced from PubChem (CID 79597918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).