3-(methylamino)-4-methylselanylbutan-2-one

C6H13NOSe — CID 134971100

IUPAC3-(methylamino)-4-methylselanylbutan-2-one
SMILESCNC(C[Se]C)C(C)=O
InChIInChI=1S/C6H13NOSe/c1-5(8)6(7-2)4-9-3/h6-7H,4H2,1-3H3
InChIKeyRUAFYUKDXSGSLR-UHFFFAOYSA-N
MW194.14 g/mol
LogP0.33
Rot. Bonds4

About 3-(methylamino)-4-methylselanylbutan-2-one

3-(methylamino)-4-methylselanylbutan-2-one (PubChem CID 134971100) has the molecular formula C6H13NOSe and a molecular weight of 194.14 g/mol. Its IUPAC name is 3-(methylamino)-4-methylselanylbutan-2-one.

Molecular Properties

Compound Name3-(methylamino)-4-methylselanylbutan-2-one
PubChem CID134971100
Molecular FormulaC6H13NOSe
Molecular Weight194.14 g/mol
Exact Mass195.02
IUPAC Name3-(methylamino)-4-methylselanylbutan-2-one
SMILESCNC(C[Se]C)C(C)=O
InChIInChI=1S/C6H13NOSe/c1-5(8)6(7-2)4-9-3/h6-7H,4H2,1-3H3
InChIKeyRUAFYUKDXSGSLR-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-methylselanylbutan-2-one?
The IUPAC name of 3-(methylamino)-4-methylselanylbutan-2-one (CID 134971100) is 3-(methylamino)-4-methylselanylbutan-2-one.
What is the SMILES notation for 3-(methylamino)-4-methylselanylbutan-2-one?
The canonical SMILES for 3-(methylamino)-4-methylselanylbutan-2-one is CNC(C[Se]C)C(C)=O.
What is the InChIKey of 3-(methylamino)-4-methylselanylbutan-2-one?
The InChIKey is RUAFYUKDXSGSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOSe/c1-5(8)6(7-2)4-9-3/h6-7H,4H2,1-3H3.
What are the key properties of 3-(methylamino)-4-methylselanylbutan-2-one?
3-(methylamino)-4-methylselanylbutan-2-one has a molecular weight of 194.14 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-methylselanylbutan-2-one is sourced from PubChem (CID 134971100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).