1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine

C10H20N2O — CID 63177593

IUPAC1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCOCC1(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)9(11)12-5-6-13-7-10(12,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyBGRYOOXITCXOCL-PKNBQFBNSA-N
MW184.28 g/mol
LogP1.73
Rot. Bonds1

About 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine

1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine (PubChem CID 63177593) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine
PubChem CID63177593
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine
SMILES[H]/N=C(\C(C)C)N1CCOCC1(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)9(11)12-5-6-13-7-10(12,3)4/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyBGRYOOXITCXOCL-PKNBQFBNSA-N
XLogP1.73
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.73
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-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine?
The IUPAC name of 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine (CID 63177593) is 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine.
What is the SMILES notation for 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine?
The canonical SMILES for 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine is [H]/N=C(\C(C)C)N1CCOCC1(C)C.
What is the InChIKey of 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine?
The InChIKey is BGRYOOXITCXOCL-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)9(11)12-5-6-13-7-10(12,3)4/h8,11H,5-7H2,1-4H3/b11-9+.
What are the key properties of 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine?
1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine has a molecular weight of 184.28 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylmorpholin-4-yl)-2-methylpropan-1-imine is sourced from PubChem (CID 63177593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).