8-amino-1-cycloheptyloxyoctan-2-one

C15H29NO2 — CID 159020368

IUPAC8-amino-1-cycloheptyloxyoctan-2-one
SMILESNCCCCCCC(=O)COC1CCCCCC1
InChIInChI=1S/C15H29NO2/c16-12-8-4-3-5-9-14(17)13-18-15-10-6-1-2-7-11-15/h15H,1-13,16H2
InChIKeyJTPOZRSGLAHTBR-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.20
Rot. Bonds9

About 8-amino-1-cycloheptyloxyoctan-2-one

8-amino-1-cycloheptyloxyoctan-2-one (PubChem CID 159020368) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 8-amino-1-cycloheptyloxyoctan-2-one.

Molecular Properties

Compound Name8-amino-1-cycloheptyloxyoctan-2-one
PubChem CID159020368
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name8-amino-1-cycloheptyloxyoctan-2-one
SMILESNCCCCCCC(=O)COC1CCCCCC1
InChIInChI=1S/C15H29NO2/c16-12-8-4-3-5-9-14(17)13-18-15-10-6-1-2-7-11-15/h15H,1-13,16H2
InChIKeyJTPOZRSGLAHTBR-UHFFFAOYSA-N
XLogP3.20
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.20
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-cycloheptyloxyoctan-2-one?
The IUPAC name of 8-amino-1-cycloheptyloxyoctan-2-one (CID 159020368) is 8-amino-1-cycloheptyloxyoctan-2-one.
What is the SMILES notation for 8-amino-1-cycloheptyloxyoctan-2-one?
The canonical SMILES for 8-amino-1-cycloheptyloxyoctan-2-one is NCCCCCCC(=O)COC1CCCCCC1.
What is the InChIKey of 8-amino-1-cycloheptyloxyoctan-2-one?
The InChIKey is JTPOZRSGLAHTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c16-12-8-4-3-5-9-14(17)13-18-15-10-6-1-2-7-11-15/h15H,1-13,16H2.
What are the key properties of 8-amino-1-cycloheptyloxyoctan-2-one?
8-amino-1-cycloheptyloxyoctan-2-one has a molecular weight of 255.40 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-1-cycloheptyloxyoctan-2-one is sourced from PubChem (CID 159020368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).