2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine

C10H17N3O2 — CID 106402025

IUPAC2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1nonc1C
InChIInChI=1S/C10H17N3O2/c1-3-4-6-14-7-5-11-8-10-9(2)12-15-13-10/h3,11H,1,4-8H2,2H3
InChIKeySJWYHXZAMMFEEV-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.06
Rot. Bonds8

About 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine

2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 106402025) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
PubChem CID106402025
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1nonc1C
InChIInChI=1S/C10H17N3O2/c1-3-4-6-14-7-5-11-8-10-9(2)12-15-13-10/h3,11H,1,4-8H2,2H3
InChIKeySJWYHXZAMMFEEV-UHFFFAOYSA-N
XLogP1.06
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine
CID 5200352
2-but-3-enoxy-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 115770524
2-but-3-enoxy-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 106397557
2-but-3-enoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethanamine
CID 106397577
2-but-3-enoxy-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103854496
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103894055
2-but-3-enoxy-N-[(3-chloro-4-methylphenyl)methyl]ethanamine
CID 106833860
2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115770560
N-(2-but-3-enoxyethyl)-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 106401742
2-[(2-but-3-enoxyethylamino)methyl]-6-methylphenol
CID 103923895
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine (CID 106402025) is 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine is C=CCCOCCNCc1nonc1C.
What is the InChIKey of 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is SJWYHXZAMMFEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-4-6-14-7-5-11-8-10-9(2)12-15-13-10/h3,11H,1,4-8H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 106402025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).