5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one

C11H23NO2 — CID 116592684

IUPAC5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
SMILESCCC(N)(CC)C(=O)C(C)CCOC
InChIInChI=1S/C11H23NO2/c1-5-11(12,6-2)10(13)9(3)7-8-14-4/h9H,5-8,12H2,1-4H3
InChIKeyMZJBYACSJSZWOJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.75
Rot. Bonds7

About 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one

5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one (PubChem CID 116592684) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one.

Molecular Properties

Compound Name5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
PubChem CID116592684
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one
SMILESCCC(N)(CC)C(=O)C(C)CCOC
InChIInChI=1S/C11H23NO2/c1-5-11(12,6-2)10(13)9(3)7-8-14-4/h9H,5-8,12H2,1-4H3
InChIKeyMZJBYACSJSZWOJ-UHFFFAOYSA-N
XLogP1.75
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-hydroxy-6-methoxy-4-methylhexan-3-one
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CID 79813178
5-hydroxy-1-methoxy-3-methyloctan-4-one
CID 103454028
8-methoxy-2,2,4-trimethyloctan-3-one
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bis(5-methoxy-3-methylpentyl) (E)-but-2-enedioate
CID 91705591
2-amino-2-ethyl-N-(1-methoxypentan-2-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one?
The IUPAC name of 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one (CID 116592684) is 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one.
What is the SMILES notation for 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one?
The canonical SMILES for 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one is CCC(N)(CC)C(=O)C(C)CCOC.
What is the InChIKey of 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one?
The InChIKey is MZJBYACSJSZWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-11(12,6-2)10(13)9(3)7-8-14-4/h9H,5-8,12H2,1-4H3.
What are the key properties of 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one?
5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one has a molecular weight of 201.31 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-ethyl-1-methoxy-3-methylheptan-4-one is sourced from PubChem (CID 116592684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).