3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine

C10H18N2O — CID 88689182

IUPAC3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=CN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-4-11-5-3-6-12-7-9-13-10-8-12/h2-3,6,11H,1,4-5,7-10H2
InChIKeyMRNPZRRDQOMSGF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.61
Rot. Bonds5

About 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine

3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine (PubChem CID 88689182) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine
PubChem CID88689182
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine
SMILESC=CCNCC=CN1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-4-11-5-3-6-12-7-9-13-10-8-12/h2-3,6,11H,1,4-5,7-10H2
InChIKeyMRNPZRRDQOMSGF-UHFFFAOYSA-N
XLogP0.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.61
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 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine (CID 88689182) is 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine is C=CCNCC=CN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine?
The InChIKey is MRNPZRRDQOMSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-4-11-5-3-6-12-7-9-13-10-8-12/h2-3,6,11H,1,4-5,7-10H2.
What are the key properties of 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine?
3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-prop-2-enylprop-2-en-1-amine is sourced from PubChem (CID 88689182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).