1-(dimethylamino)-3-ethyliminopropan-2-one

C7H14N2O — CID 91524600

IUPAC1-(dimethylamino)-3-ethyliminopropan-2-one
SMILESCC/N=C/C(=O)CN(C)C
InChIInChI=1S/C7H14N2O/c1-4-8-5-7(10)6-9(2)3/h5H,4,6H2,1-3H3/b8-5+
InChIKeyBJKFERULUZDYDI-VMPITWQZSA-N
MW142.20 g/mol
LogP0.21
Rot. Bonds4

About 1-(dimethylamino)-3-ethyliminopropan-2-one

1-(dimethylamino)-3-ethyliminopropan-2-one (PubChem CID 91524600) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(dimethylamino)-3-ethyliminopropan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-ethyliminopropan-2-one
PubChem CID91524600
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(dimethylamino)-3-ethyliminopropan-2-one
SMILESCC/N=C/C(=O)CN(C)C
InChIInChI=1S/C7H14N2O/c1-4-8-5-7(10)6-9(2)3/h5H,4,6H2,1-3H3/b8-5+
InChIKeyBJKFERULUZDYDI-VMPITWQZSA-N
XLogP0.21
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-ethyliminopropan-2-one?
The IUPAC name of 1-(dimethylamino)-3-ethyliminopropan-2-one (CID 91524600) is 1-(dimethylamino)-3-ethyliminopropan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-ethyliminopropan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-ethyliminopropan-2-one is CC/N=C/C(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-ethyliminopropan-2-one?
The InChIKey is BJKFERULUZDYDI-VMPITWQZSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-8-5-7(10)6-9(2)3/h5H,4,6H2,1-3H3/b8-5+.
What are the key properties of 1-(dimethylamino)-3-ethyliminopropan-2-one?
1-(dimethylamino)-3-ethyliminopropan-2-one has a molecular weight of 142.20 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-ethyliminopropan-2-one is sourced from PubChem (CID 91524600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).