2,2-dimethyl-1-morpholin-4-ylpropan-1-imine

C9H18N2O — CID 63178365

IUPAC2,2-dimethyl-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\N1CCOCC1)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(10)11-4-6-12-7-5-11/h10H,4-7H2,1-3H3/b10-8-
InChIKeyITYMIUHGIJJSPW-NTMALXAHSA-N
MW170.26 g/mol
LogP1.34
Rot. Bonds

About 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine

2,2-dimethyl-1-morpholin-4-ylpropan-1-imine (PubChem CID 63178365) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-1-morpholin-4-ylpropan-1-imine
PubChem CID63178365
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2,2-dimethyl-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\N1CCOCC1)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-9(2,3)8(10)11-4-6-12-7-5-11/h10H,4-7H2,1-3H3/b10-8-
InChIKeyITYMIUHGIJJSPW-NTMALXAHSA-N
XLogP1.34
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.34
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 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine?
The IUPAC name of 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine (CID 63178365) is 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine.
What is the SMILES notation for 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine?
The canonical SMILES for 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine is [H]/N=C(\N1CCOCC1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine?
The InChIKey is ITYMIUHGIJJSPW-NTMALXAHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8(10)11-4-6-12-7-5-11/h10H,4-7H2,1-3H3/b10-8-.
What are the key properties of 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine?
2,2-dimethyl-1-morpholin-4-ylpropan-1-imine has a molecular weight of 170.26 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-morpholin-4-ylpropan-1-imine is sourced from PubChem (CID 63178365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).