(E)-2-propoxyethenamine

C5H11NO — CID 87454571

IUPAC(E)-2-propoxyethenamine
SMILESCCCO/C=C/N
InChIInChI=1S/C5H11NO/c1-2-4-7-5-3-6/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyKGYCLFMPDKRMMK-HWKANZROSA-N
MW101.15 g/mol
LogP0.84
Rot. Bonds3

About (E)-2-propoxyethenamine

(E)-2-propoxyethenamine (PubChem CID 87454571) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is (E)-2-propoxyethenamine.

Molecular Properties

Compound Name(E)-2-propoxyethenamine
PubChem CID87454571
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name(E)-2-propoxyethenamine
SMILESCCCO/C=C/N
InChIInChI=1S/C5H11NO/c1-2-4-7-5-3-6/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyKGYCLFMPDKRMMK-HWKANZROSA-N
XLogP0.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-propoxyethenamine?
The IUPAC name of (E)-2-propoxyethenamine (CID 87454571) is (E)-2-propoxyethenamine.
What is the SMILES notation for (E)-2-propoxyethenamine?
The canonical SMILES for (E)-2-propoxyethenamine is CCCO/C=C/N.
What is the InChIKey of (E)-2-propoxyethenamine?
The InChIKey is KGYCLFMPDKRMMK-HWKANZROSA-N. The full InChI is InChI=1S/C5H11NO/c1-2-4-7-5-3-6/h3,5H,2,4,6H2,1H3/b5-3+.
What are the key properties of (E)-2-propoxyethenamine?
(E)-2-propoxyethenamine has a molecular weight of 101.15 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-propoxyethenamine is sourced from PubChem (CID 87454571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).