1-methoxy-3-[methyl(propyl)amino]hexan-2-one

C11H23NO2 — CID 59873060

IUPAC1-methoxy-3-[methyl(propyl)amino]hexan-2-one
SMILESCCCC(C(=O)COC)N(C)CCC
InChIInChI=1S/C11H23NO2/c1-5-7-10(11(13)9-14-4)12(3)8-6-2/h10H,5-9H2,1-4H3
InChIKeyLPTGHDBEQNXCHP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.71
Rot. Bonds8

About 1-methoxy-3-[methyl(propyl)amino]hexan-2-one

1-methoxy-3-[methyl(propyl)amino]hexan-2-one (PubChem CID 59873060) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(propyl)amino]hexan-2-one.

Molecular Properties

Compound Name1-methoxy-3-[methyl(propyl)amino]hexan-2-one
PubChem CID59873060
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-methoxy-3-[methyl(propyl)amino]hexan-2-one
SMILESCCCC(C(=O)COC)N(C)CCC
InChIInChI=1S/C11H23NO2/c1-5-7-10(11(13)9-14-4)12(3)8-6-2/h10H,5-9H2,1-4H3
InChIKeyLPTGHDBEQNXCHP-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methoxy-3-(propylamino)hexan-2-one
CID 59873058
1-Methoxy-3-(propylamino)hexan-2-one;propan-1-amine
CID 91209575
1-(Diethylamino)-3-hexoxybutan-2-one
CID 175317777
1-Methoxy-3-[methyl(pentan-2-yl)amino]propan-2-one
CID 107507147

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(propyl)amino]hexan-2-one?
The IUPAC name of 1-methoxy-3-[methyl(propyl)amino]hexan-2-one (CID 59873060) is 1-methoxy-3-[methyl(propyl)amino]hexan-2-one.
What is the SMILES notation for 1-methoxy-3-[methyl(propyl)amino]hexan-2-one?
The canonical SMILES for 1-methoxy-3-[methyl(propyl)amino]hexan-2-one is CCCC(C(=O)COC)N(C)CCC.
What is the InChIKey of 1-methoxy-3-[methyl(propyl)amino]hexan-2-one?
The InChIKey is LPTGHDBEQNXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-10(11(13)9-14-4)12(3)8-6-2/h10H,5-9H2,1-4H3.
What are the key properties of 1-methoxy-3-[methyl(propyl)amino]hexan-2-one?
1-methoxy-3-[methyl(propyl)amino]hexan-2-one has a molecular weight of 201.31 g/mol, XLogP of 1.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(propyl)amino]hexan-2-one is sourced from PubChem (CID 59873060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).