4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine

C12H20N2O2 — CID 91334682

IUPAC4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(OCCN2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1,3,12-13H,2,4-10H2/b13-11-
InChIKeyZPDBGSQSOASEFO-QBFSEMIESA-N
MW224.30 g/mol
LogP1.07
Rot. Bonds4

About 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine

4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine (PubChem CID 91334682) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine
PubChem CID91334682
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine
SMILES[H]/N=C1/C=CC(OCCN2CCOCC2)CC1
InChIInChI=1S/C12H20N2O2/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1,3,12-13H,2,4-10H2/b13-11-
InChIKeyZPDBGSQSOASEFO-QBFSEMIESA-N
XLogP1.07
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine?
The IUPAC name of 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine (CID 91334682) is 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine.
What is the SMILES notation for 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine?
The canonical SMILES for 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine is [H]/N=C1/C=CC(OCCN2CCOCC2)CC1.
What is the InChIKey of 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine?
The InChIKey is ZPDBGSQSOASEFO-QBFSEMIESA-N. The full InChI is InChI=1S/C12H20N2O2/c13-11-1-3-12(4-2-11)16-10-7-14-5-8-15-9-6-14/h1,3,12-13H,2,4-10H2/b13-11-.
What are the key properties of 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine?
4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine has a molecular weight of 224.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethoxy)cyclohex-2-en-1-imine is sourced from PubChem (CID 91334682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).