2-but-3-enoxyethanamine

C6H13NO — CID 62443041

IUPAC2-but-3-enoxyethanamine
SMILESC=CCCOCCN
InChIInChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2H,1,3-7H2
InChIKeySUTJRBJJAHYZQM-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds5

About 2-but-3-enoxyethanamine

2-but-3-enoxyethanamine (PubChem CID 62443041) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-but-3-enoxyethanamine.

Molecular Properties

Compound Name2-but-3-enoxyethanamine
PubChem CID62443041
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-but-3-enoxyethanamine
SMILESC=CCCOCCN
InChIInChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2H,1,3-7H2
InChIKeySUTJRBJJAHYZQM-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxyethanamine?
The IUPAC name of 2-but-3-enoxyethanamine (CID 62443041) is 2-but-3-enoxyethanamine.
What is the SMILES notation for 2-but-3-enoxyethanamine?
The canonical SMILES for 2-but-3-enoxyethanamine is C=CCCOCCN.
What is the InChIKey of 2-but-3-enoxyethanamine?
The InChIKey is SUTJRBJJAHYZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-2-3-5-8-6-4-7/h2H,1,3-7H2.
What are the key properties of 2-but-3-enoxyethanamine?
2-but-3-enoxyethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxyethanamine is sourced from PubChem (CID 62443041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).