3-amino-1-methoxyhexan-2-one

C7H15NO2 — CID 82417772

IUPAC3-amino-1-methoxyhexan-2-one
SMILESCCCC(N)C(=O)COC
InChIInChI=1S/C7H15NO2/c1-3-4-6(8)7(9)5-10-2/h6H,3-5,8H2,1-2H3
InChIKeyAJJYMUATFQJOFM-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.33
Rot. Bonds5

About 3-amino-1-methoxyhexan-2-one

3-amino-1-methoxyhexan-2-one (PubChem CID 82417772) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-amino-1-methoxyhexan-2-one.

Molecular Properties

Compound Name3-amino-1-methoxyhexan-2-one
PubChem CID82417772
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-amino-1-methoxyhexan-2-one
SMILESCCCC(N)C(=O)COC
InChIInChI=1S/C7H15NO2/c1-3-4-6(8)7(9)5-10-2/h6H,3-5,8H2,1-2H3
InChIKeyAJJYMUATFQJOFM-UHFFFAOYSA-N
XLogP0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methoxyhexan-2-one?
The IUPAC name of 3-amino-1-methoxyhexan-2-one (CID 82417772) is 3-amino-1-methoxyhexan-2-one.
What is the SMILES notation for 3-amino-1-methoxyhexan-2-one?
The canonical SMILES for 3-amino-1-methoxyhexan-2-one is CCCC(N)C(=O)COC.
What is the InChIKey of 3-amino-1-methoxyhexan-2-one?
The InChIKey is AJJYMUATFQJOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-4-6(8)7(9)5-10-2/h6H,3-5,8H2,1-2H3.
What are the key properties of 3-amino-1-methoxyhexan-2-one?
3-amino-1-methoxyhexan-2-one has a molecular weight of 145.20 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methoxyhexan-2-one is sourced from PubChem (CID 82417772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).