(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine

C13H22N2O2 — CID 123988186

IUPAC(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C=C\C(C)OCCN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-3-13(14)5-4-12(2)17-11-8-15-6-9-16-10-7-15/h3-5,12,14H,1,6-11H2,2H3/b5-4-,14-13+
InChIKeyFVMKWQOVLCYSJR-SXEKXAKBSA-N
MW238.33 g/mol
LogP1.49
Rot. Bonds7

About (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine

(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine (PubChem CID 123988186) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine.

Molecular Properties

Compound Name(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine
PubChem CID123988186
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine
SMILES[H]/N=C(C=C)/C=C\C(C)OCCN1CCOCC1
InChIInChI=1S/C13H22N2O2/c1-3-13(14)5-4-12(2)17-11-8-15-6-9-16-10-7-15/h3-5,12,14H,1,6-11H2,2H3/b5-4-,14-13+
InChIKeyFVMKWQOVLCYSJR-SXEKXAKBSA-N
XLogP1.49
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Morpholin-4-ylethoxy)cyclohex-2-en-1-imine
CID 91334682
2-[(3Z)-5-iminohexa-1,3-dien-2-yl]oxy-N,N-dimethylethanamine
CID 123341536
(E)-4-morpholin-2-ylpent-3-en-2-imine
CID 123436513
4-[2-[(Z)-hex-3-en-2-yl]oxyethyl]morpholine
CID 138716178

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine?
The IUPAC name of (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine (CID 123988186) is (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine.
What is the SMILES notation for (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine?
The canonical SMILES for (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine is [H]/N=C(C=C)/C=C\C(C)OCCN1CCOCC1.
What is the InChIKey of (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine?
The InChIKey is FVMKWQOVLCYSJR-SXEKXAKBSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-13(14)5-4-12(2)17-11-8-15-6-9-16-10-7-15/h3-5,12,14H,1,6-11H2,2H3/b5-4-,14-13+.
What are the key properties of (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine?
(4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine has a molecular weight of 238.33 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-(2-morpholin-4-ylethoxy)hepta-1,4-dien-3-imine is sourced from PubChem (CID 123988186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).