morpholin-4-yl(oxolan-3-yl)methanimine

C9H16N2O2 — CID 65329018

IUPACmorpholin-4-yl(oxolan-3-yl)methanimine
SMILES[H]/N=C(\C1CCOC1)N1CCOCC1
InChIInChI=1S/C9H16N2O2/c10-9(8-1-4-13-7-8)11-2-5-12-6-3-11/h8,10H,1-7H2/b10-9+
InChIKeyKQZSHNDNQSWEQI-MDZDMXLPSA-N
MW184.24 g/mol
LogP0.33
Rot. Bonds1

About morpholin-4-yl(oxolan-3-yl)methanimine

morpholin-4-yl(oxolan-3-yl)methanimine (PubChem CID 65329018) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is morpholin-4-yl(oxolan-3-yl)methanimine.

Molecular Properties

Compound Namemorpholin-4-yl(oxolan-3-yl)methanimine
PubChem CID65329018
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Namemorpholin-4-yl(oxolan-3-yl)methanimine
SMILES[H]/N=C(\C1CCOC1)N1CCOCC1
InChIInChI=1S/C9H16N2O2/c10-9(8-1-4-13-7-8)11-2-5-12-6-3-11/h8,10H,1-7H2/b10-9+
InChIKeyKQZSHNDNQSWEQI-MDZDMXLPSA-N
XLogP0.33
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 morpholin-4-yl(oxolan-3-yl)methanimine?
The IUPAC name of morpholin-4-yl(oxolan-3-yl)methanimine (CID 65329018) is morpholin-4-yl(oxolan-3-yl)methanimine.
What is the SMILES notation for morpholin-4-yl(oxolan-3-yl)methanimine?
The canonical SMILES for morpholin-4-yl(oxolan-3-yl)methanimine is [H]/N=C(\C1CCOC1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(oxolan-3-yl)methanimine?
The InChIKey is KQZSHNDNQSWEQI-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(8-1-4-13-7-8)11-2-5-12-6-3-11/h8,10H,1-7H2/b10-9+.
What are the key properties of morpholin-4-yl(oxolan-3-yl)methanimine?
morpholin-4-yl(oxolan-3-yl)methanimine has a molecular weight of 184.24 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(oxolan-3-yl)methanimine is sourced from PubChem (CID 65329018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).