2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine

C13H25NO2 — CID 121299842

IUPAC2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine
SMILESCCC=COCCN(C)CCOC=CCC
InChIInChI=1S/C13H25NO2/c1-4-6-10-15-12-8-14(3)9-13-16-11-7-5-2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3
InChIKeyYOZDEQWOMJTYMF-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds10

About 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine

2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine (PubChem CID 121299842) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine
PubChem CID121299842
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine
SMILESCCC=COCCN(C)CCOC=CCC
InChIInChI=1S/C13H25NO2/c1-4-6-10-15-12-8-14(3)9-13-16-11-7-5-2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3
InChIKeyYOZDEQWOMJTYMF-UHFFFAOYSA-N
XLogP2.80
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine?
The IUPAC name of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine (CID 121299842) is 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine.
What is the SMILES notation for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine?
The canonical SMILES for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine is CCC=COCCN(C)CCOC=CCC.
What is the InChIKey of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine?
The InChIKey is YOZDEQWOMJTYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-6-10-15-12-8-14(3)9-13-16-11-7-5-2/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine?
2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine has a molecular weight of 227.35 g/mol, XLogP of 2.80, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-methylethanamine is sourced from PubChem (CID 121299842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).