1-(2,6-dimethylmorpholin-4-yl)propan-1-imine

C9H18N2O — CID 62047937

IUPAC1-(2,6-dimethylmorpholin-4-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C)OC(C)C1
InChIInChI=1S/C9H18N2O/c1-4-9(10)11-5-7(2)12-8(3)6-11/h7-8,10H,4-6H2,1-3H3/b10-9+
InChIKeyWBWPMPUDMWHULH-MDZDMXLPSA-N
MW170.26 g/mol
LogP1.48
Rot. Bonds1

About 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine

1-(2,6-dimethylmorpholin-4-yl)propan-1-imine (PubChem CID 62047937) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine.

Molecular Properties

Compound Name1-(2,6-dimethylmorpholin-4-yl)propan-1-imine
PubChem CID62047937
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(2,6-dimethylmorpholin-4-yl)propan-1-imine
SMILES[H]/N=C(\CC)N1CC(C)OC(C)C1
InChIInChI=1S/C9H18N2O/c1-4-9(10)11-5-7(2)12-8(3)6-11/h7-8,10H,4-6H2,1-3H3/b10-9+
InChIKeyWBWPMPUDMWHULH-MDZDMXLPSA-N
XLogP1.48
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,6-dimethylmorpholin-4-yl)propan-1-imine?
The IUPAC name of 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine (CID 62047937) is 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine.
What is the SMILES notation for 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine?
The canonical SMILES for 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine is [H]/N=C(\CC)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine?
The InChIKey is WBWPMPUDMWHULH-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-9(10)11-5-7(2)12-8(3)6-11/h7-8,10H,4-6H2,1-3H3/b10-9+.
What are the key properties of 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine?
1-(2,6-dimethylmorpholin-4-yl)propan-1-imine has a molecular weight of 170.26 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylmorpholin-4-yl)propan-1-imine is sourced from PubChem (CID 62047937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).