1,3-dimorpholin-4-ylpropane-1,3-diimine

C11H20N4O2 — CID 123506612

IUPAC1,3-dimorpholin-4-ylpropane-1,3-diimine
SMILES[H]/N=C(/C/C(=N/[H])N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N4O2/c12-10(14-1-5-16-6-2-14)9-11(13)15-3-7-17-8-4-15/h12-13H,1-9H2/b12-10-,13-11-
InChIKeySLDWDTUGLINZCF-MIMPSMLTSA-N
MW240.31 g/mol
LogP-0.00
Rot. Bonds2

About 1,3-dimorpholin-4-ylpropane-1,3-diimine

1,3-dimorpholin-4-ylpropane-1,3-diimine (PubChem CID 123506612) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1,3-dimorpholin-4-ylpropane-1,3-diimine.

Molecular Properties

Compound Name1,3-dimorpholin-4-ylpropane-1,3-diimine
PubChem CID123506612
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name1,3-dimorpholin-4-ylpropane-1,3-diimine
SMILES[H]/N=C(/C/C(=N/[H])N1CCOCC1)N1CCOCC1
InChIInChI=1S/C11H20N4O2/c12-10(14-1-5-16-6-2-14)9-11(13)15-3-7-17-8-4-15/h12-13H,1-9H2/b12-10-,13-11-
InChIKeySLDWDTUGLINZCF-MIMPSMLTSA-N
XLogP-0.00
TPSA72.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-1-yl)-1-morpholin-4-ylethanimine
CID 130706300
3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine
CID 103150910
Morpholine-4-carboselenoamide
CID 12008371
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415
methyl morpholine-4-carboximidothioate
CID 8006837
1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride
CID 3088325
2-imino-1-morpholin-4-ylpropan-1-one
CID 171555876
morpholin-4-yl(oxan-4-yl)methanimine
CID 65334629
N-(morpholine-4-carboximidoyl)butanamide
CID 154044270
ethane;2-imino-1-morpholin-4-ylpropan-1-one
CID 171555875
3-chloro-4-imino-N-methyl-4-morpholin-4-ylbut-2-en-2-amine
CID 163764000
bis(morpholine-4-carboximidamide);sulfate
CID 73010846

Frequently Asked Questions

What is the IUPAC name of 1,3-dimorpholin-4-ylpropane-1,3-diimine?
The IUPAC name of 1,3-dimorpholin-4-ylpropane-1,3-diimine (CID 123506612) is 1,3-dimorpholin-4-ylpropane-1,3-diimine.
What is the SMILES notation for 1,3-dimorpholin-4-ylpropane-1,3-diimine?
The canonical SMILES for 1,3-dimorpholin-4-ylpropane-1,3-diimine is [H]/N=C(/C/C(=N/[H])N1CCOCC1)N1CCOCC1.
What is the InChIKey of 1,3-dimorpholin-4-ylpropane-1,3-diimine?
The InChIKey is SLDWDTUGLINZCF-MIMPSMLTSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-10(14-1-5-16-6-2-14)9-11(13)15-3-7-17-8-4-15/h12-13H,1-9H2/b12-10-,13-11-.
What are the key properties of 1,3-dimorpholin-4-ylpropane-1,3-diimine?
1,3-dimorpholin-4-ylpropane-1,3-diimine has a molecular weight of 240.31 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimorpholin-4-ylpropane-1,3-diimine is sourced from PubChem (CID 123506612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).