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

C6H12N2O — CID 123577065

IUPAC1-(dimethylamino)-3-methyliminopropan-2-one
SMILESC/N=C/C(=O)CN(C)C
InChIInChI=1S/C6H12N2O/c1-7-4-6(9)5-8(2)3/h4H,5H2,1-3H3/b7-4+
InChIKeyDPHCBLHIZJITKB-QPJJXVBHSA-N
MW128.17 g/mol
LogP-0.18
Rot. Bonds3

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

1-(dimethylamino)-3-methyliminopropan-2-one (PubChem CID 123577065) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methyliminopropan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-3-methyliminopropan-2-one
PubChem CID123577065
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-(dimethylamino)-3-methyliminopropan-2-one
SMILESC/N=C/C(=O)CN(C)C
InChIInChI=1S/C6H12N2O/c1-7-4-6(9)5-8(2)3/h4H,5H2,1-3H3/b7-4+
InChIKeyDPHCBLHIZJITKB-QPJJXVBHSA-N
XLogP-0.18
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.18
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-methyliminopropan-2-one?
The IUPAC name of 1-(dimethylamino)-3-methyliminopropan-2-one (CID 123577065) is 1-(dimethylamino)-3-methyliminopropan-2-one.
What is the SMILES notation for 1-(dimethylamino)-3-methyliminopropan-2-one?
The canonical SMILES for 1-(dimethylamino)-3-methyliminopropan-2-one is C/N=C/C(=O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-methyliminopropan-2-one?
The InChIKey is DPHCBLHIZJITKB-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-4-6(9)5-8(2)3/h4H,5H2,1-3H3/b7-4+.
What are the key properties of 1-(dimethylamino)-3-methyliminopropan-2-one?
1-(dimethylamino)-3-methyliminopropan-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methyliminopropan-2-one is sourced from PubChem (CID 123577065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).