2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine

C10H18N4O — CID 115770560

IUPAC2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1cnnn1C
InChIInChI=1S/C10H18N4O/c1-3-4-6-15-7-5-11-8-10-9-12-13-14(10)2/h3,9,11H,1,4-8H2,2H3
InChIKeyWEBRNJBOURRSQU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.50
Rot. Bonds8

About 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine

2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine (PubChem CID 115770560) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine
PubChem CID115770560
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine
SMILESC=CCCOCCNCc1cnnn1C
InChIInChI=1S/C10H18N4O/c1-3-4-6-15-7-5-11-8-10-9-12-13-14(10)2/h3,9,11H,1,4-8H2,2H3
InChIKeyWEBRNJBOURRSQU-UHFFFAOYSA-N
XLogP0.50
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.50
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-[(3-ethyl-1-methylpyrazol-5-yl)methyl]ethanamine
CID 106402039
4-ethoxy-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682364
5-[(2-but-3-enoxyethylamino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 106401968
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
2-but-3-enoxy-N-[(1-ethenylpyrazol-4-yl)methyl]ethanamine
CID 107094823
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
methyl 3-[(3-methyltriazol-4-yl)methylamino]propanoate
CID 115978304
2-but-3-enoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 103894055
2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115770529
N-[(3-methyltriazol-4-yl)methyl]pent-4-yn-1-amine
CID 103739398
2-but-3-enoxy-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 113339105

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine (CID 115770560) is 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine is C=CCCOCCNCc1cnnn1C.
What is the InChIKey of 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
The InChIKey is WEBRNJBOURRSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-4-6-15-7-5-11-8-10-9-12-13-14(10)2/h3,9,11H,1,4-8H2,2H3.
What are the key properties of 2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine?
2-but-3-enoxy-N-[(3-methyltriazol-4-yl)methyl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.50, 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-[(3-methyltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 115770560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).