5-[ethyl(methyl)amino]-3-methoxypentan-2-one

C9H19NO2 — CID 23561666

IUPAC5-[ethyl(methyl)amino]-3-methoxypentan-2-one
SMILESCCN(C)CCC(OC)C(C)=O
InChIInChI=1S/C9H19NO2/c1-5-10(3)7-6-9(12-4)8(2)11/h9H,5-7H2,1-4H3
InChIKeyOILPIVXKNCVZKP-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.93
Rot. Bonds6

About 5-[ethyl(methyl)amino]-3-methoxypentan-2-one

5-[ethyl(methyl)amino]-3-methoxypentan-2-one (PubChem CID 23561666) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-3-methoxypentan-2-one.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-3-methoxypentan-2-one
PubChem CID23561666
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name5-[ethyl(methyl)amino]-3-methoxypentan-2-one
SMILESCCN(C)CCC(OC)C(C)=O
InChIInChI=1S/C9H19NO2/c1-5-10(3)7-6-9(12-4)8(2)11/h9H,5-7H2,1-4H3
InChIKeyOILPIVXKNCVZKP-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-3-methoxypentan-2-one?
The IUPAC name of 5-[ethyl(methyl)amino]-3-methoxypentan-2-one (CID 23561666) is 5-[ethyl(methyl)amino]-3-methoxypentan-2-one.
What is the SMILES notation for 5-[ethyl(methyl)amino]-3-methoxypentan-2-one?
The canonical SMILES for 5-[ethyl(methyl)amino]-3-methoxypentan-2-one is CCN(C)CCC(OC)C(C)=O.
What is the InChIKey of 5-[ethyl(methyl)amino]-3-methoxypentan-2-one?
The InChIKey is OILPIVXKNCVZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(3)7-6-9(12-4)8(2)11/h9H,5-7H2,1-4H3.
What are the key properties of 5-[ethyl(methyl)amino]-3-methoxypentan-2-one?
5-[ethyl(methyl)amino]-3-methoxypentan-2-one has a molecular weight of 173.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-3-methoxypentan-2-one is sourced from PubChem (CID 23561666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).