2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone

C14H24N2O2 — CID 54815790

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone
SMILESO=C(CNCCC1=CCCCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O2/c17-14(16-8-10-18-11-9-16)12-15-7-6-13-4-2-1-3-5-13/h4,15H,1-3,5-12H2
InChIKeyPTPSBTKHPDOZAU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds5

About 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone

2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone (PubChem CID 54815790) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone
PubChem CID54815790
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone
SMILESO=C(CNCCC1=CCCCC1)N1CCOCC1
InChIInChI=1S/C14H24N2O2/c17-14(16-8-10-18-11-9-16)12-15-7-6-13-4-2-1-3-5-13/h4,15H,1-3,5-12H2
InChIKeyPTPSBTKHPDOZAU-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.33
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 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone (CID 54815790) is 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone is O=C(CNCCC1=CCCCC1)N1CCOCC1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone?
The InChIKey is PTPSBTKHPDOZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(16-8-10-18-11-9-16)12-15-7-6-13-4-2-1-3-5-13/h4,15H,1-3,5-12H2.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone?
2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone has a molecular weight of 252.36 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 54815790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).