4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine

C11H22N2O — CID 68543856

IUPAC4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CN1CCOCC1
InChIInChI=1S/C6H11N.C5H11NO/c1-3-5-7-6-4-2;1-6-2-4-7-5-3-6/h3-4,7H,1-2,5-6H2;2-5H2,1H3
InChIKeyKGCNRFKKZBHGOX-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.90
Rot. Bonds4

About 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine

4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine (PubChem CID 68543856) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
PubChem CID68543856
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=C.CN1CCOCC1
InChIInChI=1S/C6H11N.C5H11NO/c1-3-5-7-6-4-2;1-6-2-4-7-5-3-6/h3-4,7H,1-2,5-6H2;2-5H2,1H3
InChIKeyKGCNRFKKZBHGOX-UHFFFAOYSA-N
XLogP0.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine (CID 68543856) is 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine is C=CCNCC=C.CN1CCOCC1.
What is the InChIKey of 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine?
The InChIKey is KGCNRFKKZBHGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.C5H11NO/c1-3-5-7-6-4-2;1-6-2-4-7-5-3-6/h3-4,7H,1-2,5-6H2;2-5H2,1H3.
What are the key properties of 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine?
4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 68543856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).