morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine

C12H23N3O2 — CID 79657731

IUPACmorpholin-4-yl-(4-propylmorpholin-2-yl)methanimine
SMILES[H]/N=C(/C1CN(CCC)CCO1)N1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-2-3-14-4-9-17-11(10-14)12(13)15-5-7-16-8-6-15/h11,13H,2-10H2,1H3/b13-12-
InChIKeyIKNLPKSHMMRTMI-SEYXRHQNSA-N
MW241.33 g/mol
LogP0.41
Rot. Bonds3

About morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine

morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine (PubChem CID 79657731) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine.

Molecular Properties

Compound Namemorpholin-4-yl-(4-propylmorpholin-2-yl)methanimine
PubChem CID79657731
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Namemorpholin-4-yl-(4-propylmorpholin-2-yl)methanimine
SMILES[H]/N=C(/C1CN(CCC)CCO1)N1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-2-3-14-4-9-17-11(10-14)12(13)15-5-7-16-8-6-15/h11,13H,2-10H2,1H3/b13-12-
InChIKeyIKNLPKSHMMRTMI-SEYXRHQNSA-N
XLogP0.41
TPSA48.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.41
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 morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine?
The IUPAC name of morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine (CID 79657731) is morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine.
What is the SMILES notation for morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine?
The canonical SMILES for morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine is [H]/N=C(/C1CN(CCC)CCO1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine?
The InChIKey is IKNLPKSHMMRTMI-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-3-14-4-9-17-11(10-14)12(13)15-5-7-16-8-6-15/h11,13H,2-10H2,1H3/b13-12-.
What are the key properties of morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine?
morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine has a molecular weight of 241.33 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-propylmorpholin-2-yl)methanimine is sourced from PubChem (CID 79657731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).