1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one

C10H21NO2 — CID 107507147

IUPAC1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one
SMILESCCCC(C)N(C)CC(=O)COC
InChIInChI=1S/C10H21NO2/c1-5-6-9(2)11(3)7-10(12)8-13-4/h9H,5-8H2,1-4H3
InChIKeyIRLHIAZADZOMEP-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.32
Rot. Bonds7

About 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one

1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one (PubChem CID 107507147) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one
PubChem CID107507147
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one
SMILESCCCC(C)N(C)CC(=O)COC
InChIInChI=1S/C10H21NO2/c1-5-6-9(2)11(3)7-10(12)8-13-4/h9H,5-8H2,1-4H3
InChIKeyIRLHIAZADZOMEP-UHFFFAOYSA-N
XLogP1.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one?
The IUPAC name of 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one (CID 107507147) is 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one.
What is the SMILES notation for 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one?
The canonical SMILES for 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one is CCCC(C)N(C)CC(=O)COC.
What is the InChIKey of 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one?
The InChIKey is IRLHIAZADZOMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-9(2)11(3)7-10(12)8-13-4/h9H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one?
1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one has a molecular weight of 187.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one is sourced from PubChem (CID 107507147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).