8-(6-aminohexoxy)-2-methyloctan-3-one

C15H31NO2 — CID 146201880

IUPAC8-(6-aminohexoxy)-2-methyloctan-3-one
SMILESCC(C)C(=O)CCCCCOCCCCCCN
InChIInChI=1S/C15H31NO2/c1-14(2)15(17)10-6-5-9-13-18-12-8-4-3-7-11-16/h14H,3-13,16H2,1-2H3
InChIKeyOFRRYGQFOCYVIC-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.31
Rot. Bonds13

About 8-(6-aminohexoxy)-2-methyloctan-3-one

8-(6-aminohexoxy)-2-methyloctan-3-one (PubChem CID 146201880) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 8-(6-aminohexoxy)-2-methyloctan-3-one.

Molecular Properties

Compound Name8-(6-aminohexoxy)-2-methyloctan-3-one
PubChem CID146201880
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name8-(6-aminohexoxy)-2-methyloctan-3-one
SMILESCC(C)C(=O)CCCCCOCCCCCCN
InChIInChI=1S/C15H31NO2/c1-14(2)15(17)10-6-5-9-13-18-12-8-4-3-7-11-16/h14H,3-13,16H2,1-2H3
InChIKeyOFRRYGQFOCYVIC-UHFFFAOYSA-N
XLogP3.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.31
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-(6-aminohexoxy)-2-methyloctan-3-one?
The IUPAC name of 8-(6-aminohexoxy)-2-methyloctan-3-one (CID 146201880) is 8-(6-aminohexoxy)-2-methyloctan-3-one.
What is the SMILES notation for 8-(6-aminohexoxy)-2-methyloctan-3-one?
The canonical SMILES for 8-(6-aminohexoxy)-2-methyloctan-3-one is CC(C)C(=O)CCCCCOCCCCCCN.
What is the InChIKey of 8-(6-aminohexoxy)-2-methyloctan-3-one?
The InChIKey is OFRRYGQFOCYVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-14(2)15(17)10-6-5-9-13-18-12-8-4-3-7-11-16/h14H,3-13,16H2,1-2H3.
What are the key properties of 8-(6-aminohexoxy)-2-methyloctan-3-one?
8-(6-aminohexoxy)-2-methyloctan-3-one has a molecular weight of 257.42 g/mol, XLogP of 3.31, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-aminohexoxy)-2-methyloctan-3-one is sourced from PubChem (CID 146201880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).