2-but-1-en-2-yloxyethanamine

C6H13NO — CID 89204406

IUPAC2-but-1-en-2-yloxyethanamine
SMILESC=C(CC)OCCN
InChIInChI=1S/C6H13NO/c1-3-6(2)8-5-4-7/h2-5,7H2,1H3
InChIKeyKRZJLUSXHWAQFN-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.89
Rot. Bonds4

About 2-but-1-en-2-yloxyethanamine

2-but-1-en-2-yloxyethanamine (PubChem CID 89204406) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-but-1-en-2-yloxyethanamine.

Molecular Properties

Compound Name2-but-1-en-2-yloxyethanamine
PubChem CID89204406
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-but-1-en-2-yloxyethanamine
SMILESC=C(CC)OCCN
InChIInChI=1S/C6H13NO/c1-3-6(2)8-5-4-7/h2-5,7H2,1H3
InChIKeyKRZJLUSXHWAQFN-UHFFFAOYSA-N
XLogP0.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yloxyethanamine?
The IUPAC name of 2-but-1-en-2-yloxyethanamine (CID 89204406) is 2-but-1-en-2-yloxyethanamine.
What is the SMILES notation for 2-but-1-en-2-yloxyethanamine?
The canonical SMILES for 2-but-1-en-2-yloxyethanamine is C=C(CC)OCCN.
What is the InChIKey of 2-but-1-en-2-yloxyethanamine?
The InChIKey is KRZJLUSXHWAQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-6(2)8-5-4-7/h2-5,7H2,1H3.
What are the key properties of 2-but-1-en-2-yloxyethanamine?
2-but-1-en-2-yloxyethanamine has a molecular weight of 115.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yloxyethanamine is sourced from PubChem (CID 89204406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).