8-amino-1-cyclohexyloxyoctan-2-one

C14H27NO2 — CID 157281333

IUPAC8-amino-1-cyclohexyloxyoctan-2-one
SMILESNCCCCCCC(=O)COC1CCCCC1
InChIInChI=1S/C14H27NO2/c15-11-7-2-1-4-8-13(16)12-17-14-9-5-3-6-10-14/h14H,1-12,15H2
InChIKeyAZRVVJZQKUVKTJ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.81
Rot. Bonds9

About 8-amino-1-cyclohexyloxyoctan-2-one

8-amino-1-cyclohexyloxyoctan-2-one (PubChem CID 157281333) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 8-amino-1-cyclohexyloxyoctan-2-one.

Molecular Properties

Compound Name8-amino-1-cyclohexyloxyoctan-2-one
PubChem CID157281333
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name8-amino-1-cyclohexyloxyoctan-2-one
SMILESNCCCCCCC(=O)COC1CCCCC1
InChIInChI=1S/C14H27NO2/c15-11-7-2-1-4-8-13(16)12-17-14-9-5-3-6-10-14/h14H,1-12,15H2
InChIKeyAZRVVJZQKUVKTJ-UHFFFAOYSA-N
XLogP2.81
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-1-cyclohexyloxyoctan-2-one?
The IUPAC name of 8-amino-1-cyclohexyloxyoctan-2-one (CID 157281333) is 8-amino-1-cyclohexyloxyoctan-2-one.
What is the SMILES notation for 8-amino-1-cyclohexyloxyoctan-2-one?
The canonical SMILES for 8-amino-1-cyclohexyloxyoctan-2-one is NCCCCCCC(=O)COC1CCCCC1.
What is the InChIKey of 8-amino-1-cyclohexyloxyoctan-2-one?
The InChIKey is AZRVVJZQKUVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c15-11-7-2-1-4-8-13(16)12-17-14-9-5-3-6-10-14/h14H,1-12,15H2.
What are the key properties of 8-amino-1-cyclohexyloxyoctan-2-one?
8-amino-1-cyclohexyloxyoctan-2-one has a molecular weight of 241.37 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-cyclohexyloxyoctan-2-one is sourced from PubChem (CID 157281333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).