8-amino-1-propan-2-yloxyoctan-2-one

C11H23NO2 — CID 116551436

IUPAC8-amino-1-propan-2-yloxyoctan-2-one
SMILESCC(C)OCC(=O)CCCCCCN
InChIInChI=1S/C11H23NO2/c1-10(2)14-9-11(13)7-5-3-4-6-8-12/h10H,3-9,12H2,1-2H3
InChIKeyWHHPHDGLBLRPJJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.89
Rot. Bonds9

About 8-amino-1-propan-2-yloxyoctan-2-one

8-amino-1-propan-2-yloxyoctan-2-one (PubChem CID 116551436) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 8-amino-1-propan-2-yloxyoctan-2-one.

Molecular Properties

Compound Name8-amino-1-propan-2-yloxyoctan-2-one
PubChem CID116551436
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name8-amino-1-propan-2-yloxyoctan-2-one
SMILESCC(C)OCC(=O)CCCCCCN
InChIInChI=1S/C11H23NO2/c1-10(2)14-9-11(13)7-5-3-4-6-8-12/h10H,3-9,12H2,1-2H3
InChIKeyWHHPHDGLBLRPJJ-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

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-propan-2-yloxyoctan-2-one?
The IUPAC name of 8-amino-1-propan-2-yloxyoctan-2-one (CID 116551436) is 8-amino-1-propan-2-yloxyoctan-2-one.
What is the SMILES notation for 8-amino-1-propan-2-yloxyoctan-2-one?
The canonical SMILES for 8-amino-1-propan-2-yloxyoctan-2-one is CC(C)OCC(=O)CCCCCCN.
What is the InChIKey of 8-amino-1-propan-2-yloxyoctan-2-one?
The InChIKey is WHHPHDGLBLRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)14-9-11(13)7-5-3-4-6-8-12/h10H,3-9,12H2,1-2H3.
What are the key properties of 8-amino-1-propan-2-yloxyoctan-2-one?
8-amino-1-propan-2-yloxyoctan-2-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 8-amino-1-propan-2-yloxyoctan-2-one is sourced from PubChem (CID 116551436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).