1,4-dioxan-2-yl(morpholin-4-yl)methanimine

C9H16N2O3 — CID 65351500

IUPAC1,4-dioxan-2-yl(morpholin-4-yl)methanimine
SMILES[H]/N=C(/C1COCCO1)N1CCOCC1
InChIInChI=1S/C9H16N2O3/c10-9(8-7-13-5-6-14-8)11-1-3-12-4-2-11/h8,10H,1-7H2/b10-9-
InChIKeyCXLAGESWDCWXQJ-KTKRTIGZSA-N
MW200.24 g/mol
LogP-0.29
Rot. Bonds1

About 1,4-dioxan-2-yl(morpholin-4-yl)methanimine

1,4-dioxan-2-yl(morpholin-4-yl)methanimine (PubChem CID 65351500) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,4-dioxan-2-yl(morpholin-4-yl)methanimine.

Molecular Properties

Compound Name1,4-dioxan-2-yl(morpholin-4-yl)methanimine
PubChem CID65351500
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1,4-dioxan-2-yl(morpholin-4-yl)methanimine
SMILES[H]/N=C(/C1COCCO1)N1CCOCC1
InChIInChI=1S/C9H16N2O3/c10-9(8-7-13-5-6-14-8)11-1-3-12-4-2-11/h8,10H,1-7H2/b10-9-
InChIKeyCXLAGESWDCWXQJ-KTKRTIGZSA-N
XLogP-0.29
TPSA54.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl(morpholin-4-yl)methanimine?
The IUPAC name of 1,4-dioxan-2-yl(morpholin-4-yl)methanimine (CID 65351500) is 1,4-dioxan-2-yl(morpholin-4-yl)methanimine.
What is the SMILES notation for 1,4-dioxan-2-yl(morpholin-4-yl)methanimine?
The canonical SMILES for 1,4-dioxan-2-yl(morpholin-4-yl)methanimine is [H]/N=C(/C1COCCO1)N1CCOCC1.
What is the InChIKey of 1,4-dioxan-2-yl(morpholin-4-yl)methanimine?
The InChIKey is CXLAGESWDCWXQJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-9(8-7-13-5-6-14-8)11-1-3-12-4-2-11/h8,10H,1-7H2/b10-9-.
What are the key properties of 1,4-dioxan-2-yl(morpholin-4-yl)methanimine?
1,4-dioxan-2-yl(morpholin-4-yl)methanimine has a molecular weight of 200.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl(morpholin-4-yl)methanimine is sourced from PubChem (CID 65351500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).