2-methoxy-1-morpholin-4-ylpropan-1-imine

C8H16N2O2 — CID 79605291

IUPAC2-methoxy-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OC)N1CCOCC1
InChIInChI=1S/C8H16N2O2/c1-7(11-2)8(9)10-3-5-12-6-4-10/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyBDXUNEHPYNPKIG-CMDGGOBGSA-N
MW172.23 g/mol
LogP0.33
Rot. Bonds2

About 2-methoxy-1-morpholin-4-ylpropan-1-imine

2-methoxy-1-morpholin-4-ylpropan-1-imine (PubChem CID 79605291) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-methoxy-1-morpholin-4-ylpropan-1-imine.

Molecular Properties

Compound Name2-methoxy-1-morpholin-4-ylpropan-1-imine
PubChem CID79605291
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-methoxy-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\C(C)OC)N1CCOCC1
InChIInChI=1S/C8H16N2O2/c1-7(11-2)8(9)10-3-5-12-6-4-10/h7,9H,3-6H2,1-2H3/b9-8+
InChIKeyBDXUNEHPYNPKIG-CMDGGOBGSA-N
XLogP0.33
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
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 2-methoxy-1-morpholin-4-ylpropan-1-imine?
The IUPAC name of 2-methoxy-1-morpholin-4-ylpropan-1-imine (CID 79605291) is 2-methoxy-1-morpholin-4-ylpropan-1-imine.
What is the SMILES notation for 2-methoxy-1-morpholin-4-ylpropan-1-imine?
The canonical SMILES for 2-methoxy-1-morpholin-4-ylpropan-1-imine is [H]/N=C(\C(C)OC)N1CCOCC1.
What is the InChIKey of 2-methoxy-1-morpholin-4-ylpropan-1-imine?
The InChIKey is BDXUNEHPYNPKIG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(11-2)8(9)10-3-5-12-6-4-10/h7,9H,3-6H2,1-2H3/b9-8+.
What are the key properties of 2-methoxy-1-morpholin-4-ylpropan-1-imine?
2-methoxy-1-morpholin-4-ylpropan-1-imine has a molecular weight of 172.23 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-morpholin-4-ylpropan-1-imine is sourced from PubChem (CID 79605291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).