1-[(Z)-prop-1-enoxy]ethanamine

C5H11NO — CID 131999460

IUPAC1-[(Z)-prop-1-enoxy]ethanamine
SMILESC/C=C\OC(C)N
InChIInChI=1S/C5H11NO/c1-3-4-7-5(2)6/h3-5H,6H2,1-2H3/b4-3-
InChIKeyUCGCRKPYRJIJJA-ARJAWSKDSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds2

About 1-[(Z)-prop-1-enoxy]ethanamine

1-[(Z)-prop-1-enoxy]ethanamine (PubChem CID 131999460) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enoxy]ethanamine.

Molecular Properties

Compound Name1-[(Z)-prop-1-enoxy]ethanamine
PubChem CID131999460
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name1-[(Z)-prop-1-enoxy]ethanamine
SMILESC/C=C\OC(C)N
InChIInChI=1S/C5H11NO/c1-3-4-7-5(2)6/h3-5H,6H2,1-2H3/b4-3-
InChIKeyUCGCRKPYRJIJJA-ARJAWSKDSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enoxy]ethanamine?
The IUPAC name of 1-[(Z)-prop-1-enoxy]ethanamine (CID 131999460) is 1-[(Z)-prop-1-enoxy]ethanamine.
What is the SMILES notation for 1-[(Z)-prop-1-enoxy]ethanamine?
The canonical SMILES for 1-[(Z)-prop-1-enoxy]ethanamine is C/C=C\OC(C)N.
What is the InChIKey of 1-[(Z)-prop-1-enoxy]ethanamine?
The InChIKey is UCGCRKPYRJIJJA-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H11NO/c1-3-4-7-5(2)6/h3-5H,6H2,1-2H3/b4-3-.
What are the key properties of 1-[(Z)-prop-1-enoxy]ethanamine?
1-[(Z)-prop-1-enoxy]ethanamine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enoxy]ethanamine is sourced from PubChem (CID 131999460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).