4-morpholin-4-ylbut-2-en-1-amine

C8H16N2O — CID 77110874

IUPAC4-morpholin-4-ylbut-2-en-1-amine
SMILESNCC=CCN1CCOCC1
InChIInChI=1S/C8H16N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-9H2
InChIKeyDANIDEYZQUUMOA-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.17
Rot. Bonds3

About 4-morpholin-4-ylbut-2-en-1-amine

4-morpholin-4-ylbut-2-en-1-amine (PubChem CID 77110874) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-morpholin-4-ylbut-2-en-1-amine.

Molecular Properties

Compound Name4-morpholin-4-ylbut-2-en-1-amine
PubChem CID77110874
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-morpholin-4-ylbut-2-en-1-amine
SMILESNCC=CCN1CCOCC1
InChIInChI=1S/C8H16N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-9H2
InChIKeyDANIDEYZQUUMOA-UHFFFAOYSA-N
XLogP-0.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylbut-2-en-1-amine?
The IUPAC name of 4-morpholin-4-ylbut-2-en-1-amine (CID 77110874) is 4-morpholin-4-ylbut-2-en-1-amine.
What is the SMILES notation for 4-morpholin-4-ylbut-2-en-1-amine?
The canonical SMILES for 4-morpholin-4-ylbut-2-en-1-amine is NCC=CCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbut-2-en-1-amine?
The InChIKey is DANIDEYZQUUMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2H,3-9H2.
What are the key properties of 4-morpholin-4-ylbut-2-en-1-amine?
4-morpholin-4-ylbut-2-en-1-amine has a molecular weight of 156.23 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbut-2-en-1-amine is sourced from PubChem (CID 77110874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).