1-amino-5-ethoxynonan-4-one

C11H23NO2 — CID 87592166

IUPAC1-amino-5-ethoxynonan-4-one
SMILESCCCCC(OCC)C(=O)CCCN
InChIInChI=1S/C11H23NO2/c1-3-5-8-11(14-4-2)10(13)7-6-9-12/h11H,3-9,12H2,1-2H3
InChIKeyYCUPSJOUHYCMHF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.89
Rot. Bonds9

About 1-amino-5-ethoxynonan-4-one

1-amino-5-ethoxynonan-4-one (PubChem CID 87592166) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-amino-5-ethoxynonan-4-one.

Molecular Properties

Compound Name1-amino-5-ethoxynonan-4-one
PubChem CID87592166
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-amino-5-ethoxynonan-4-one
SMILESCCCCC(OCC)C(=O)CCCN
InChIInChI=1S/C11H23NO2/c1-3-5-8-11(14-4-2)10(13)7-6-9-12/h11H,3-9,12H2,1-2H3
InChIKeyYCUPSJOUHYCMHF-UHFFFAOYSA-N
XLogP1.89
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-5-hydroxyoctan-4-one
CID 91171191
7-Amino-1-ethoxyheptan-2-one
CID 116549919
7-Amino-1-methoxyheptan-2-one
CID 116549962
7-Amino-3-methoxyheptan-2-one
CID 123659207
8-Amino-1-cyclohexyloxyoctan-2-one
CID 157281333
8-Amino-1-cycloheptyloxyoctan-2-one
CID 159020368
7-Amino-1-ethoxyheptan-2-one;methane
CID 160472658
3-(5-Aminopentoxy)butan-2-one
CID 82352874
7-Amino-1-propan-2-yloxyheptan-2-one
CID 116549957
7-Amino-1-propoxyheptan-2-one
CID 116550065
8-Amino-1-ethoxyoctan-2-one
CID 116551394
8-Amino-1-propan-2-yloxyoctan-2-one
CID 116551436

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-ethoxynonan-4-one?
The IUPAC name of 1-amino-5-ethoxynonan-4-one (CID 87592166) is 1-amino-5-ethoxynonan-4-one.
What is the SMILES notation for 1-amino-5-ethoxynonan-4-one?
The canonical SMILES for 1-amino-5-ethoxynonan-4-one is CCCCC(OCC)C(=O)CCCN.
What is the InChIKey of 1-amino-5-ethoxynonan-4-one?
The InChIKey is YCUPSJOUHYCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-8-11(14-4-2)10(13)7-6-9-12/h11H,3-9,12H2,1-2H3.
What are the key properties of 1-amino-5-ethoxynonan-4-one?
1-amino-5-ethoxynonan-4-one has a molecular weight of 201.31 g/mol, XLogP of 1.89, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-ethoxynonan-4-one is sourced from PubChem (CID 87592166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).